(11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

C24H27N3O3S — CID 95055677

IUPAC(11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
SMILESCOc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H27N3O3S/c1-24(23(29)25-17-7-4-3-5-8-17)15-26-20(13-16-11-12-31-22(16)26)21(28)27(24)18-9-6-10-19(14-18)30-2/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,25,29)/t24-/m0/s1
InChIKeyMMJQREHBWPJMHI-DEOSSOPVSA-N
MW437.57 g/mol
LogP4.58
Rot. Bonds4

About (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide

(11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide (PubChem CID 95055677) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide.

Molecular Properties

Compound Name(11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
PubChem CID95055677
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name(11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
SMILESCOc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C24H27N3O3S/c1-24(23(29)25-17-7-4-3-5-8-17)15-26-20(13-16-11-12-31-22(16)26)21(28)27(24)18-9-6-10-19(14-18)30-2/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,25,29)/t24-/m0/s1
InChIKeyMMJQREHBWPJMHI-DEOSSOPVSA-N
XLogP4.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide 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

(11R)-N-cyclohexyl-11-methyl-10-(3-methylsulfanylphenyl)-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 95055704
(3R)-N-cyclooctyl-7-methoxy-2-(3-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704403
(3R)-2-(3-chlorophenyl)-N-cyclopentyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739779
(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
N-cyclohexyl-10-[(2-methoxyphenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033714
(3R)-N-cyclohexyl-2-(3,5-dimethoxyphenyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704124
N-cyclohexyl-11-methyl-9-oxo-10-(3-phenylpropyl)-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033707
N-cyclohexyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide
CID 53033718
(3R)-N-cyclopentyl-7-methoxy-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739833
(11R)-10-(3-methoxyphenyl)-11-methyl-N-[(1R,2R)-2-methylcyclohexyl]-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420286
N-cyclooctyl-2-cyclopropyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522344
(6S)-2-tert-butyl-N-cycloheptyl-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738865

Frequently Asked Questions

What is the IUPAC name of (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
The IUPAC name of (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide (CID 95055677) is (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide.
What is the SMILES notation for (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
The canonical SMILES for (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide is COc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
The InChIKey is MMJQREHBWPJMHI-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-24(23(29)25-17-7-4-3-5-8-17)15-26-20(13-16-11-12-31-22(16)26)21(28)27(24)18-9-6-10-19(14-18)30-2/h6,9-14,17H,3-5,7-8,15H2,1-2H3,(H,25,29)/t24-/m0/s1.
What are the key properties of (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide?
(11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-N-cyclohexyl-10-(3-methoxyphenyl)-11-methyl-9-oxo-3-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene-11-carboxamide is sourced from PubChem (CID 95055677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).