N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide

C17H21NO2S — CID 6625751

IUPACN-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide
SMILESCC1CCCCC1NC(=O)c1cccc2c1SCCC2=O
InChIInChI=1S/C17H21NO2S/c1-11-5-2-3-8-14(11)18-17(20)13-7-4-6-12-15(19)9-10-21-16(12)13/h4,6-7,11,14H,2-3,5,8-10H2,1H3,(H,18,20)
InChIKeyXIYDRVPZTIYTFP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.67
Rot. Bonds2

About N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide

N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide (PubChem CID 6625751) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide
PubChem CID6625751
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide
SMILESCC1CCCCC1NC(=O)c1cccc2c1SCCC2=O
InChIInChI=1S/C17H21NO2S/c1-11-5-2-3-8-14(11)18-17(20)13-7-4-6-12-15(19)9-10-21-16(12)13/h4,6-7,11,14H,2-3,5,8-10H2,1H3,(H,18,20)
InChIKeyXIYDRVPZTIYTFP-UHFFFAOYSA-N
XLogP3.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-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

2-(ethylthio)-N-(2-phenylethyl)benzamide
CID 971228
3-methyl-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
CID 3416951
4-fluoro-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
CID 3678808
4-methyl-N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)benzenecarboxamide
CID 3710006
N-benzyl-2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylbenzamide
CID 3989718
2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 4370954
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-(3-methylbutyl)benzamide
CID 4785965
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzamide
CID 16287968
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(methylsulfonylmethyl)benzamide
CID 16288181
4-(methylthio)-N-thiochroman-4-yl-benzamide
CID 16305810
2-(3-Benzylcarbamoyl-phenyl)-2-oxoethyl Ethyl Trithiocarbonate
CID 24894900
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylacetamide
CID 16267081

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide (CID 6625751) is N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide is CC1CCCCC1NC(=O)c1cccc2c1SCCC2=O.
What is the InChIKey of N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
The InChIKey is XIYDRVPZTIYTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-11-5-2-3-8-14(11)18-17(20)13-7-4-6-12-15(19)9-10-21-16(12)13/h4,6-7,11,14H,2-3,5,8-10H2,1H3,(H,18,20).
What are the key properties of N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide?
N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-oxo-2,3-dihydrothiochromene-8-carboxamide is sourced from PubChem (CID 6625751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).