2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide

C16H22ClNOS — CID 3590753

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2ccccc2Cl)C1C
InChIInChI=1S/C16H22ClNOS/c1-11-6-5-8-14(12(11)2)18-16(19)10-20-15-9-4-3-7-13(15)17/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H,18,19)
InChIKeyCYUJHOQGXMZASB-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 3590753) has the molecular formula C16H22ClNOS and a molecular weight of 311.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID3590753
Molecular FormulaC16H22ClNOS
Molecular Weight311.88 g/mol
Exact Mass311.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2ccccc2Cl)C1C
InChIInChI=1S/C16H22ClNOS/c1-11-6-5-8-14(12(11)2)18-16(19)10-20-15-9-4-3-7-13(15)17/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H,18,19)
InChIKeyCYUJHOQGXMZASB-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 43305214
2-(2-chlorophenyl)sulfanyl-N-[(1R,2S)-2-(methanesulfonamido)cyclohexyl]acetamide
CID 99784515
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 6598224
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284425
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624406
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 43249246
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide (CID 3590753) is 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSc2ccccc2Cl)C1C.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is CYUJHOQGXMZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNOS/c1-11-6-5-8-14(12(11)2)18-16(19)10-20-15-9-4-3-7-13(15)17/h3-4,7,9,11-12,14H,5-6,8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 311.88 g/mol, XLogP of 4.37, 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-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 3590753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).