2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide

C15H20ClNOS — CID 7950418

IUPAC2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClNOS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3,(H,17,18)
InChIKeyLNDVRCCHILVAGI-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.13
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 7950418) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
PubChem CID7950418
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2ccccc2Cl)CC1
InChIInChI=1S/C15H20ClNOS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3,(H,17,18)
InChIKeyLNDVRCCHILVAGI-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
2-(2-chlorophenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 36810837
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 66032727
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8704491
2-(2,3-dichloroanilino)-N-(4-methylcyclohexyl)acetamide
CID 47123114
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide
CID 99784515
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870141

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide (CID 7950418) is 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is LNDVRCCHILVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-11-6-8-12(9-7-11)17-15(18)10-19-14-5-3-2-4-13(14)16/h2-5,11-12H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 297.85 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 7950418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).