1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea

C160H203F2N25O28S8 — CID 159669200

IUPAC1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea
SMILESC=C(C)CCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC1(C)Cc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccn2C(=O)O1.CCCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CCOCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)C1CCn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.CN(C)C1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.CN1CCn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn2c1OCCC2(F)F
InChIInChI=1S/C23H30N4O3S.C22H29N5O3S.C22H25N3O5S.C21H26N4O3S.C20H21F2N3O4S.C18H24N2O3S.C17H24N2O4S.C17H24N2O3S/c1-26(2)17-9-11-27-12-10-21(20(27)14-17)31(29,30)25-23(28)24-22-18-7-3-5-15(18)13-16-6-4-8-19(16)22;1-26(2)16-9-10-27-19(12-16)20(13-23-27)31(29,30)25-22(28)24-21-17-7-3-5-14(17)11-15-6-4-8-18(15)21;1-22(2)12-17-18(9-10-25(17)21(27)30-22)31(28,29)24-20(26)23-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19;1-24-10-11-25-9-8-19(18(25)13-24)29(27,28)23-21(26)22-20-16-6-2-4-14(16)12-15-5-3-7-17(15)20;21-20(22)8-10-29-18-16(7-9-25(18)20)30(27,28)24-19(26)23-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17;1-12(2)9-10-24(22,23)20-18(21)19-17-15-7-3-5-13(15)11-14-6-4-8-16(14)17;1-2-23-9-10-24(21,22)19-17(20)18-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16;1-2-3-10-23(21,22)19-17(20)18-16-14-8-4-6-12(14)11-13-7-5-9-15(13)16/h10,12-13,17H,3-9,11,14H2,1-2H3,(H2,24,25,28);11,13,16H,3-10,12H2,1-2H3,(H2,24,25,28);9-11H,3-8,12H2,1-2H3,(H2,23,24,26);8-9,12H,2-7,10-11,13H2,1H3,(H2,22,23,26);7,9,11H,1-6,8,10H2,(H2,23,24,26);11H,1,3-10H2,2H3,(H2,19,20,21);11H,2-10H2,1H3,(H2,18,19,20);11H,2-10H2,1H3,(H2,18,19,20)
InChIKeyMTUIXOBVPPAIIM-UHFFFAOYSA-N
MW3219.06 g/mol
LogP22.27
Rot. Bonds33

About 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea

1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea (PubChem CID 159669200) has the molecular formula C160H203F2N25O28S8 and a molecular weight of 3219.06 g/mol. Its IUPAC name is 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea
PubChem CID159669200
Molecular FormulaC160H203F2N25O28S8
Molecular Weight3219.06 g/mol
Exact Mass3216.30
IUPAC Name1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea
SMILESC=C(C)CCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC1(C)Cc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccn2C(=O)O1.CCCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CCOCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)C1CCn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.CN(C)C1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.CN1CCn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn2c1OCCC2(F)F
InChIInChI=1S/C23H30N4O3S.C22H29N5O3S.C22H25N3O5S.C21H26N4O3S.C20H21F2N3O4S.C18H24N2O3S.C17H24N2O4S.C17H24N2O3S/c1-26(2)17-9-11-27-12-10-21(20(27)14-17)31(29,30)25-23(28)24-22-18-7-3-5-15(18)13-16-6-4-8-19(16)22;1-26(2)16-9-10-27-19(12-16)20(13-23-27)31(29,30)25-22(28)24-21-17-7-3-5-14(17)11-15-6-4-8-18(15)21;1-22(2)12-17-18(9-10-25(17)21(27)30-22)31(28,29)24-20(26)23-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19;1-24-10-11-25-9-8-19(18(25)13-24)29(27,28)23-21(26)22-20-16-6-2-4-14(16)12-15-5-3-7-17(15)20;21-20(22)8-10-29-18-16(7-9-25(18)20)30(27,28)24-19(26)23-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17;1-12(2)9-10-24(22,23)20-18(21)19-17-15-7-3-5-13(15)11-14-6-4-8-16(14)17;1-2-23-9-10-24(21,22)19-17(20)18-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16;1-2-3-10-23(21,22)19-17(20)18-16-14-8-4-6-12(14)11-13-7-5-9-15(13)16/h10,12-13,17H,3-9,11,14H2,1-2H3,(H2,24,25,28);11,13,16H,3-10,12H2,1-2H3,(H2,24,25,28);9-11H,3-8,12H2,1-2H3,(H2,23,24,26);8-9,12H,2-7,10-11,13H2,1H3,(H2,22,23,26);7,9,11H,1-6,8,10H2,(H2,23,24,26);11H,1,3-10H2,2H3,(H2,19,20,21);11H,2-10H2,1H3,(H2,18,19,20);11H,2-10H2,1H3,(H2,18,19,20)
InChIKeyMTUIXOBVPPAIIM-UHFFFAOYSA-N
XLogP22.27
TPSA694.18 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003219.06
LogP ≤ 522.27
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea?
The IUPAC name of 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea (CID 159669200) is 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea.
What is the SMILES notation for 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea?
The canonical SMILES for 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea is C=C(C)CCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC1(C)Cc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)ccn2C(=O)O1.CCCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CCOCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CN(C)C1CCn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.CN(C)C1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.CN1CCn2ccc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn2c1OCCC2(F)F.
What is the InChIKey of 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea?
The InChIKey is MTUIXOBVPPAIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S.C22H29N5O3S.C22H25N3O5S.C21H26N4O3S.C20H21F2N3O4S.C18H24N2O3S.C17H24N2O4S.C17H24N2O3S/c1-26(2)17-9-11-27-12-10-21(20(27)14-17)31(29,30)25-23(28)24-22-18-7-3-5-15(18)13-16-6-4-8-19(16)22;1-26(2)16-9-10-27-19(12-16)20(13-23-27)31(29,30)25-22(28)24-21-17-7-3-5-14(17)11-15-6-4-8-18(15)21;1-22(2)12-17-18(9-10-25(17)21(27)30-22)31(28,29)24-20(26)23-19-15-7-3-5-13(15)11-14-6-4-8-16(14)19;1-24-10-11-25-9-8-19(18(25)13-24)29(27,28)23-21(26)22-20-16-6-2-4-14(16)12-15-5-3-7-17(15)20;21-20(22)8-10-29-18-16(7-9-25(18)20)30(27,28)24-19(26)23-17-14-5-1-3-12(14)11-13-4-2-6-15(13)17;1-12(2)9-10-24(22,23)20-18(21)19-17-15-7-3-5-13(15)11-14-6-4-8-16(14)17;1-2-23-9-10-24(21,22)19-17(20)18-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16;1-2-3-10-23(21,22)19-17(20)18-16-14-8-4-6-12(14)11-13-7-5-9-15(13)16/h10,12-13,17H,3-9,11,14H2,1-2H3,(H2,24,25,28);11,13,16H,3-10,12H2,1-2H3,(H2,24,25,28);9-11H,3-8,12H2,1-2H3,(H2,23,24,26);8-9,12H,2-7,10-11,13H2,1H3,(H2,22,23,26);7,9,11H,1-6,8,10H2,(H2,23,24,26);11H,1,3-10H2,2H3,(H2,19,20,21);11H,2-10H2,1H3,(H2,18,19,20);11H,2-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea?
1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea has a molecular weight of 3219.06 g/mol, XLogP of 22.27, 33 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(4,4-difluoro-2,3-dihydropyrrolo[2,1-b][1,3]oxazin-8-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[7-(dimethylamino)-5,6,7,8-tetrahydroindolizin-1-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[5-(dimethylamino)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(3,3-dimethyl-1-oxo-4H-pyrrolo[1,2-c][1,3]oxazin-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2-ethoxyethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methylbut-3-enylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-8-yl)sulfonyl]urea is sourced from PubChem (CID 159669200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).