N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide

C146H183N15O28S7 — CID 158355396

IUPACN-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide
SMILESCC(C)(C)OC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)OC(C)(C)C.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(C)C)S(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2occc2c1.CN[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2occc2c1
InChIInChI=1S/C29H31N3O6S2.C26H35N3O5S.C24H32N2O4S.C23H30N2O4S.C22H27N3O5S.C22H28N2O4S/c1-22(2)20-31(39(33,34)26-4-6-28-24(18-26)10-16-37-28)14-3-15-32(21-23-8-12-30-13-9-23)40(35,36)27-5-7-29-25(19-27)11-17-38-29;1-20(2)18-28(25(30)34-26(3,4)5)14-6-15-29(19-21-9-12-27-13-10-21)35(31,32)23-7-8-24-22(17-23)11-16-33-24;1-18(2)16-26(31(28,29)21-10-11-24-20(15-21)12-13-30-24)17-23(27)22(25(3)4)14-19-8-6-5-7-9-19;1-17(2)15-25(16-22(26)21(24-3)13-18-7-5-4-6-8-18)30(27,28)20-9-10-23-19(14-20)11-12-29-23;1-22(2,3)30-21(26)24-10-4-13-25(16-17-7-11-23-12-8-17)31(27,28)19-5-6-20-18(15-19)9-14-29-20;1-16(2)14-23-15-21(25)20(12-17-6-4-3-5-7-17)24-29(26,27)19-8-9-22-18(13-19)10-11-28-22/h4-13,16-19,22H,3,14-15,20-21H2,1-2H3;7-13,16-17,20H,6,14-15,18-19H2,1-5H3;5-13,15,18,22-23,27H,14,16-17H2,1-4H3;4-12,14,17,21-22,24,26H,13,15-16H2,1-3H3;5-9,11-12,14-15H,4,10,13,16H2,1-3H3,(H,24,26);3-11,13,16,20-21,23-25H,12,14-15H2,1-2H3/t;;22-,23+;21-,22+;;20-,21+/m..00.0/s1
InChIKeyGSUSAZDDAMKFLQ-ROSKXMQBSA-N
MW2820.62 g/mol
LogP24.55
Rot. Bonds60

About N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide

N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide (PubChem CID 158355396) has the molecular formula C146H183N15O28S7 and a molecular weight of 2820.62 g/mol. Its IUPAC name is N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide
PubChem CID158355396
Molecular FormulaC146H183N15O28S7
Molecular Weight2820.62 g/mol
Exact Mass2818.14
IUPAC NameN-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide
SMILESCC(C)(C)OC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)OC(C)(C)C.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(C)C)S(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2occc2c1.CN[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2occc2c1
InChIInChI=1S/C29H31N3O6S2.C26H35N3O5S.C24H32N2O4S.C23H30N2O4S.C22H27N3O5S.C22H28N2O4S/c1-22(2)20-31(39(33,34)26-4-6-28-24(18-26)10-16-37-28)14-3-15-32(21-23-8-12-30-13-9-23)40(35,36)27-5-7-29-25(19-27)11-17-38-29;1-20(2)18-28(25(30)34-26(3,4)5)14-6-15-29(19-21-9-12-27-13-10-21)35(31,32)23-7-8-24-22(17-23)11-16-33-24;1-18(2)16-26(31(28,29)21-10-11-24-20(15-21)12-13-30-24)17-23(27)22(25(3)4)14-19-8-6-5-7-9-19;1-17(2)15-25(16-22(26)21(24-3)13-18-7-5-4-6-8-18)30(27,28)20-9-10-23-19(14-20)11-12-29-23;1-22(2,3)30-21(26)24-10-4-13-25(16-17-7-11-23-12-8-17)31(27,28)19-5-6-20-18(15-19)9-14-29-20;1-16(2)14-23-15-21(25)20(12-17-6-4-3-5-7-17)24-29(26,27)19-8-9-22-18(13-19)10-11-28-22/h4-13,16-19,22H,3,14-15,20-21H2,1-2H3;7-13,16-17,20H,6,14-15,18-19H2,1-5H3;5-13,15,18,22-23,27H,14,16-17H2,1-4H3;4-12,14,17,21-22,24,26H,13,15-16H2,1-3H3;5-9,11-12,14-15H,4,10,13,16H2,1-3H3,(H,24,26);3-11,13,16,20-21,23-25H,12,14-15H2,1-2H3/t;;22-,23+;21-,22+;;20-,21+/m..00.0/s1
InChIKeyGSUSAZDDAMKFLQ-ROSKXMQBSA-N
XLogP24.55
TPSA556.96 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds60
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002820.62
LogP ≤ 524.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-[[3-(dibenzofuran-2-ylsulfonylamino)-2-oxopropyl]-(pyridin-4-ylmethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 21706651
benzyl N-[(2S)-1-[[3-[[(2S)-2-(dibenzofuran-2-ylsulfonylamino)-4-methylpentanoyl]amino]-2-oxopropyl]-(pyridin-4-ylmethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 145818771
N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethylbutanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl N-[3-[bis(1-benzofuran-5-ylmethyl)amino]propyl]carbamate;propan-2-yl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate
CID 157084077
[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-(acetamidomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[3-(aminomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[3-(butylsulfinylmethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[3-[[(2-pyridin-3-ylacetyl)amino]methyl]-1-benzofuran-5-yl]sulfonyl]amino]-1-phenylbutan-2-yl]carbamate
CID 157209804
1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate
CID 157222712
N-[4-(1-benzofuran-5-ylsulfonyl)butyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(pyridin-4-ylmethyl)carbamate;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate
CID 157316286
(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-[(2S,3S)-3-benzyl-2-hydroxypentyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;tert-butyl 5-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]pentanoate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide
CID 157445903
[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[3-(acetamidomethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[3-(butylsulfanylmethyl)-1-benzofuran-5-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[2-(piperidin-1-ylmethyl)-1-benzofuran-5-yl]sulfonyl]amino]-1-phenylbutan-2-yl]carbamate;[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[[3-[(pyridine-3-carbonylamino)methyl]-1-benzofuran-5-yl]sulfonyl]amino]-1-phenylbutan-2-yl]carbamate
CID 157694243
N-(1-benzofuran-5-ylmethyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;1-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3-tert-butylurea;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide;N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)acetamide;N-[3-[bis(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;N-(4-phenylbutyl)-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide
CID 158078511
CID 158234347
CID 158234347
1-benzofuran-5-sulfonyl chloride;(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide;tert-butyl N-[(2S)-1-[bis(2-methylpropyl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate;methane;2-methyl-N-(2-methylpropyl)propan-1-amine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 158555091
1-(1-benzofuran-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine;N-(1-benzofuran-5-ylmethyl)pyridin-4-amine;N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine;4-(1-benzofuran-5-ylsulfonyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine;(2S,3S)-3-(1-benzofuran-5-ylsulfonylmethyl)-1-(2-methylpropylamino)-4-phenylbutan-2-ol;tert-butyl 5-[bis(1-benzofuran-5-ylmethyl)amino]pentanoate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide
CID 158884024

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide (CID 158355396) is N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide is CC(C)(C)OC(=O)NCCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)C(=O)OC(C)(C)C.CC(C)CN(CCCN(Cc1ccncc1)S(=O)(=O)c1ccc2occc2c1)S(=O)(=O)c1ccc2occc2c1.CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N(C)C)S(=O)(=O)c1ccc2occc2c1.CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2occc2c1.CN[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2occc2c1.
What is the InChIKey of N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide?
The InChIKey is GSUSAZDDAMKFLQ-ROSKXMQBSA-N. The full InChI is InChI=1S/C29H31N3O6S2.C26H35N3O5S.C24H32N2O4S.C23H30N2O4S.C22H27N3O5S.C22H28N2O4S/c1-22(2)20-31(39(33,34)26-4-6-28-24(18-26)10-16-37-28)14-3-15-32(21-23-8-12-30-13-9-23)40(35,36)27-5-7-29-25(19-27)11-17-38-29;1-20(2)18-28(25(30)34-26(3,4)5)14-6-15-29(19-21-9-12-27-13-10-21)35(31,32)23-7-8-24-22(17-23)11-16-33-24;1-18(2)16-26(31(28,29)21-10-11-24-20(15-21)12-13-30-24)17-23(27)22(25(3)4)14-19-8-6-5-7-9-19;1-17(2)15-25(16-22(26)21(24-3)13-18-7-5-4-6-8-18)30(27,28)20-9-10-23-19(14-20)11-12-29-23;1-22(2,3)30-21(26)24-10-4-13-25(16-17-7-11-23-12-8-17)31(27,28)19-5-6-20-18(15-19)9-14-29-20;1-16(2)14-23-15-21(25)20(12-17-6-4-3-5-7-17)24-29(26,27)19-8-9-22-18(13-19)10-11-28-22/h4-13,16-19,22H,3,14-15,20-21H2,1-2H3;7-13,16-17,20H,6,14-15,18-19H2,1-5H3;5-13,15,18,22-23,27H,14,16-17H2,1-4H3;4-12,14,17,21-22,24,26H,13,15-16H2,1-3H3;5-9,11-12,14-15H,4,10,13,16H2,1-3H3,(H,24,26);3-11,13,16,20-21,23-25H,12,14-15H2,1-2H3/t;;22-,23+;21-,22+;;20-,21+/m..00.0/s1.
What are the key properties of N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide?
N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide has a molecular weight of 2820.62 g/mol, XLogP of 24.55, 60 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(pyridin-4-ylmethyl)-1-benzofuran-5-sulfonamide;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]carbamate;tert-butyl N-[3-[1-benzofuran-5-ylsulfonyl(pyridin-4-ylmethyl)amino]propyl]-N-(2-methylpropyl)carbamate;N-[(2R,3S)-3-(dimethylamino)-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2R,3S)-2-hydroxy-3-(methylamino)-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide;N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 158355396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).