2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide

C15H22N2OS — CID 43249246

IUPAC2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1ccccc1N
InChIInChI=1S/C15H22N2OS/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,2,4,6,8,10,16H2,1H3,(H,17,18)
InChIKeyKYISVEQHLMOGNC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.06
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide

2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 43249246) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
PubChem CID43249246
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CSc1ccccc1N
InChIInChI=1S/C15H22N2OS/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,2,4,6,8,10,16H2,1H3,(H,17,18)
InChIKeyKYISVEQHLMOGNC-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2498816
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 7605381
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
CID 894002
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 43301392
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7976217
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 79128505
2-(2-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)acetamide
CID 3590753
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 7605607
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 46822474
N-(2-methylcyclohexyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944885
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 112793176

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide (CID 43249246) is 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CSc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is KYISVEQHLMOGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/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,2,4,6,8,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 43249246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).