2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C15H20ClNOS — CID 2498816

IUPAC2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H20ClNOS/c1-11-6-2-4-8-13(11)17-15(18)10-19-14-9-5-3-7-12(14)16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyBHYVFEVXHVCGFZ-DGCLKSJQSA-N
MW297.85 g/mol
LogP4.13
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 2498816) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID2498816
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C15H20ClNOS/c1-11-6-2-4-8-13(11)17-15(18)10-19-14-9-5-3-7-12(14)16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,18)/t11-,13-/m1/s1
InChIKeyBHYVFEVXHVCGFZ-DGCLKSJQSA-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-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide
CID 99784515
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 8710351
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7976217
2-[[5-[(1S)-1-(2-chlorophenoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 126176531

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 2498816) is 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is BHYVFEVXHVCGFZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H20ClNOS/c1-11-6-2-4-8-13(11)17-15(18)10-19-14-9-5-3-7-12(14)16/h3,5,7,9,11,13H,2,4,6,8,10H2,1H3,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-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-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 2498816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).