10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H26ClN3O2S — CID 50756134

IUPAC10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O2S/c1-24(23(30)26-18-5-3-2-4-6-18)15-27-19-11-12-31-21(19)13-20(27)22(29)28(24)14-16-7-9-17(25)10-8-16/h7-13,18H,2-6,14-15H2,1H3,(H,26,30)
InChIKeyHSCVNOYQLBKOAZ-UHFFFAOYSA-N
MW456.01 g/mol
LogP5.22
Rot. Bonds4

About 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 50756134) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

Compound Name10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
PubChem CID50756134
Molecular FormulaC24H26ClN3O2S
Molecular Weight456.01 g/mol
Exact Mass455.14
IUPAC Name10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O2S/c1-24(23(30)26-18-5-3-2-4-6-18)15-27-19-11-12-31-21(19)13-20(27)22(29)28(24)14-16-7-9-17(25)10-8-16/h7-13,18H,2-6,14-15H2,1H3,(H,26,30)
InChIKeyHSCVNOYQLBKOAZ-UHFFFAOYSA-N
XLogP5.22
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.01
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide with MolForge

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Related Compounds

(11R)-10-[(4-chlorophenyl)methyl]-N-cyclopentyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92903378
(11S)-N-cycloheptyl-10-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737401
10-[(2-chlorophenyl)methyl]-N-cyclooctyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514662
10-[(2-chlorophenyl)methyl]-N-cyclopentyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756244
N-cyclooctyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514690
(11R)-N-cyclopentyl-10-[(2-fluorophenyl)methyl]-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737308
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739445
10-[(4-methoxyphenyl)methyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756071
N-cycloheptyl-11-methyl-9-oxo-10-(2H-thiopyran-6-ylmethyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 143130683
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704200
N-cyclooctyl-11-methyl-9-oxo-10-(3-piperidin-1-ylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22514706
N-cyclohexyl-11-methyl-9-oxo-10-propan-2-yl-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 46271467

Frequently Asked Questions

What is the IUPAC name of 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The IUPAC name of 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 50756134) is 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.
What is the SMILES notation for 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The canonical SMILES for 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(cc3sccc32)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
The InChIKey is HSCVNOYQLBKOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c1-24(23(30)26-18-5-3-2-4-6-18)15-27-19-11-12-31-21(19)13-20(27)22(29)28(24)14-16-7-9-17(25)10-8-16/h7-13,18H,2-6,14-15H2,1H3,(H,26,30).
What are the key properties of 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?
10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 456.01 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chlorophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 50756134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).