19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C33H40N4O6S — CID 23652708

IUPAC19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1CC(C)(O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C33H40N4O6S/c1-32(40)17-36(18-32)31(39)33-16-26(33)25-15-22(43-4)11-13-23(25)29-28(20-8-6-5-7-9-20)24-12-10-21(14-27(24)37(29)19-33)30(38)34-44(41,42)35(2)3/h10-15,20,26,40H,5-9,16-19H2,1-4H3,(H,34,38)
InChIKeyYILVFCHRQFKSES-UHFFFAOYSA-N
MW620.77 g/mol
LogP3.98
Rot. Bonds6

About 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 23652708) has the molecular formula C33H40N4O6S and a molecular weight of 620.77 g/mol. Its IUPAC name is 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

Compound Name19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
PubChem CID23652708
Molecular FormulaC33H40N4O6S
Molecular Weight620.77 g/mol
Exact Mass620.27
IUPAC Name19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
SMILESCOc1ccc2c(c1)C1CC1(C(=O)N1CC(C)(O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21
InChIInChI=1S/C33H40N4O6S/c1-32(40)17-36(18-32)31(39)33-16-26(33)25-15-22(43-4)11-13-23(25)29-28(20-8-6-5-7-9-20)24-12-10-21(14-27(24)37(29)19-33)30(38)34-44(41,42)35(2)3/h10-15,20,26,40H,5-9,16-19H2,1-4H3,(H,34,38)
InChIKeyYILVFCHRQFKSES-UHFFFAOYSA-N
XLogP3.98
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.77
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The IUPAC name of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 23652708) is 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.
What is the SMILES notation for 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The canonical SMILES for 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is COc1ccc2c(c1)C1CC1(C(=O)N1CC(C)(O)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21.
What is the InChIKey of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
The InChIKey is YILVFCHRQFKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O6S/c1-32(40)17-36(18-32)31(39)33-16-26(33)25-15-22(43-4)11-13-23(25)29-28(20-8-6-5-7-9-20)24-12-10-21(14-27(24)37(29)19-33)30(38)34-44(41,42)35(2)3/h10-15,20,26,40H,5-9,16-19H2,1-4H3,(H,34,38).
What are the key properties of 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?
19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 620.77 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-methylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 23652708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).