N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane

C145H163N23O31S11 — CID 158294938

IUPACN-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane
SMILESCOCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)cn1.COC[C@H](C)Nc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)cn1.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1cncc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)c1.S
InChIInChI=1S/C31H37N5O6S2.C30H35N5O6S2.C30H33N5O5S2.C28H30N4O6S2.C26H26N4O8S2.H2S/c1-18(17-41-5)33-26-12-11-20(16-32-26)29(37)34-22-10-8-9-19-13-25(43-28(19)22)30(38)35-23-14-21(31(2,3)4)15-24(27(23)42-6)36-44(7,39)40;1-30(2,3)20-15-22(26(41-5)23(16-20)35-43(6,38)39)34-29(37)24-14-18-8-7-9-21(27(18)42-24)33-28(36)19-10-11-25(32-17-19)31-12-13-40-4;1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20;1-28(2,3)18-12-21(24(38-5)22(13-18)32-40(6,35)36)31-27(34)23-11-16-8-7-9-20(25(16)39-23)30-26(33)17-10-19(37-4)15-29-14-17;1-26(2,3)15-12-17(22(37-4)18(13-15)29-40(5,35)36)28-25(32)20-11-14-7-6-8-16(23(14)39-20)27-24(31)19-9-10-21(38-19)30(33)34;/h8-16,18,36H,17H2,1-7H3,(H,32,33)(H,34,37)(H,35,38);7-11,14-17,35H,12-13H2,1-6H3,(H,31,32)(H,33,36)(H,34,37);6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37);7-15,32H,1-6H3,(H,30,33)(H,31,34);6-13,29H,1-5H3,(H,27,31)(H,28,32);1H2/t18-;;;;;/m0...../s1
InChIKeyGLUKEIQNEKMATO-BRHJORIOSA-N
MW3076.77 g/mol
LogP28.70
Rot. Bonds47

About N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane

N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane (PubChem CID 158294938) has the molecular formula C145H163N23O31S11 and a molecular weight of 3076.77 g/mol. Its IUPAC name is N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane.

Molecular Properties

Compound NameN-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane
PubChem CID158294938
Molecular FormulaC145H163N23O31S11
Molecular Weight3076.77 g/mol
Exact Mass3073.88
IUPAC NameN-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane
SMILESCOCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)cn1.COC[C@H](C)Nc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)cn1.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1cncc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)c1.S
InChIInChI=1S/C31H37N5O6S2.C30H35N5O6S2.C30H33N5O5S2.C28H30N4O6S2.C26H26N4O8S2.H2S/c1-18(17-41-5)33-26-12-11-20(16-32-26)29(37)34-22-10-8-9-19-13-25(43-28(19)22)30(38)35-23-14-21(31(2,3)4)15-24(27(23)42-6)36-44(7,39)40;1-30(2,3)20-15-22(26(41-5)23(16-20)35-43(6,38)39)34-29(37)24-14-18-8-7-9-21(27(18)42-24)33-28(36)19-10-11-25(32-17-19)31-12-13-40-4;1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20;1-28(2,3)18-12-21(24(38-5)22(13-18)32-40(6,35)36)31-27(34)23-11-16-8-7-9-20(25(16)39-23)30-26(33)17-10-19(37-4)15-29-14-17;1-26(2,3)15-12-17(22(37-4)18(13-15)29-40(5,35)36)28-25(32)20-11-14-7-6-8-16(23(14)39-20)27-24(31)19-9-10-21(38-19)30(33)34;/h8-16,18,36H,17H2,1-7H3,(H,32,33)(H,34,37)(H,35,38);7-11,14-17,35H,12-13H2,1-6H3,(H,31,32)(H,33,36)(H,34,37);6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37);7-15,32H,1-6H3,(H,30,33)(H,31,34);6-13,29H,1-5H3,(H,27,31)(H,28,32);1H2/t18-;;;;;/m0...../s1
InChIKeyGLUKEIQNEKMATO-BRHJORIOSA-N
XLogP28.70
TPSA739.62 Ų
H-Bond Donors18
H-Bond Acceptors43
Rotatable Bonds47
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003076.77
LogP ≤ 528.70
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane with MolForge

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Related Compounds

6-(benzylamino)-N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclohexylmethylamino)pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[5-(morpholine-4-carbonyl)pyridine-3-carbonyl]amino]indole-2-carboxamide;methane
CID 159832886
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-(dimethylcarbamoylamino)-1-benzothiophene-2-carboxamide
CID 10414278
N-[2-[[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[(4-methylpiperazin-1-yl)amino]pyridine-3-carboxamide;ethane
CID 142819788
7-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide;tert-butyl 4-[4-[[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[(4-piperazin-1-ylsulfonylbenzoyl)amino]-1-benzothiophene-2-carboxamide;methane;4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylbenzoic acid
CID 160635633
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3,4-dimethyl-5-nitrobenzamide
CID 21079206
4-amino-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-benzothiophene-2-carboxamide;N-(3-amino-5-tert-butyl-2-methoxyphenyl)methanesulfonamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-4-yl]pyridine-3-carboxamide;N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-nitro-1-benzothiophene-2-carboxamide;methane;4-nitro-1-benzothiophene-2-carboxylic acid;pyridine-3-carboxylic acid
CID 159702940
tert-butyl [4-[[6-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-chlorophenoxy]pyrimidin-4-yl]amino]piperidin-1-yl] carbonate
CID 67217842
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-phenylmethoxybenzamide
CID 67491415
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[2-[[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]methyl]quinazolin-6-yl]-4-methylbenzamide
CID 160598194
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 167906219
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane?
The IUPAC name of N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane (CID 158294938) is N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane.
What is the SMILES notation for N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane?
The canonical SMILES for N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane is COCCNc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)cn1.COC[C@H](C)Nc1ccc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)cn1.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1cncc(C(=O)Nc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)sc23)c1.S.
What is the InChIKey of N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane?
The InChIKey is GLUKEIQNEKMATO-BRHJORIOSA-N. The full InChI is InChI=1S/C31H37N5O6S2.C30H35N5O6S2.C30H33N5O5S2.C28H30N4O6S2.C26H26N4O8S2.H2S/c1-18(17-41-5)33-26-12-11-20(16-32-26)29(37)34-22-10-8-9-19-13-25(43-28(19)22)30(38)35-23-14-21(31(2,3)4)15-24(27(23)42-6)36-44(7,39)40;1-30(2,3)20-15-22(26(41-5)23(16-20)35-43(6,38)39)34-29(37)24-14-18-8-7-9-21(27(18)42-24)33-28(36)19-10-11-25(32-17-19)31-12-13-40-4;1-30(2,3)19-14-22(26(40-4)23(15-19)35-42(5,38)39)34-29(37)24-13-17-7-6-8-21(27(17)41-24)33-28(36)18-9-12-25(31-16-18)32-20-10-11-20;1-28(2,3)18-12-21(24(38-5)22(13-18)32-40(6,35)36)31-27(34)23-11-16-8-7-9-20(25(16)39-23)30-26(33)17-10-19(37-4)15-29-14-17;1-26(2,3)15-12-17(22(37-4)18(13-15)29-40(5,35)36)28-25(32)20-11-14-7-6-8-16(23(14)39-20)27-24(31)19-9-10-21(38-19)30(33)34;/h8-16,18,36H,17H2,1-7H3,(H,32,33)(H,34,37)(H,35,38);7-11,14-17,35H,12-13H2,1-6H3,(H,31,32)(H,33,36)(H,34,37);6-9,12-16,20,35H,10-11H2,1-5H3,(H,31,32)(H,33,36)(H,34,37);7-15,32H,1-6H3,(H,30,33)(H,31,34);6-13,29H,1-5H3,(H,27,31)(H,28,32);1H2/t18-;;;;;/m0...../s1.
What are the key properties of N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane?
N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane has a molecular weight of 3076.77 g/mol, XLogP of 28.70, 47 rotatable bonds, 18 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(cyclopropylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-(2-methoxyethylamino)pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-6-[[(2S)-1-methoxypropan-2-yl]amino]pyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-methoxypyridine-3-carboxamide;N-[2-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-1-benzothiophen-7-yl]-5-nitrofuran-2-carboxamide;sulfane is sourced from PubChem (CID 158294938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).