2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide

C15H22N2OS — CID 103723452

IUPAC2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCC(NC(=O)CNc2ccccc2)C1
InChIInChI=1S/C15H22N2OS/c1-19-14-9-5-8-13(10-14)17-15(18)11-16-12-6-3-2-4-7-12/h2-4,6-7,13-14,16H,5,8-11H2,1H3,(H,17,18)
InChIKeyOOOUDZQXTJWNNP-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.89
Rot. Bonds5

About 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide

2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide (PubChem CID 103723452) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide
PubChem CID103723452
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide
SMILESCSC1CCCC(NC(=O)CNc2ccccc2)C1
InChIInChI=1S/C15H22N2OS/c1-19-14-9-5-8-13(10-14)17-15(18)11-16-12-6-3-2-4-7-12/h2-4,6-7,13-14,16H,5,8-11H2,1H3,(H,17,18)
InChIKeyOOOUDZQXTJWNNP-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119716294
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-[2-[(3-methylsulfanylcyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104588508
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-anilino-N-(thian-4-yl)acetamide;hydrochloride
CID 119765688
3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
CID 119794960
(3S)-3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-N-[(1S,3R)-3-methylsulfanylcyclohexyl]butanamide
CID 97317284
(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
CID 100614916
6-amino-N-(3-methylsulfanylcyclohexyl)pyridine-2-carboxamide;hydrochloride
CID 119999169
5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide
CID 86966004

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide?
The IUPAC name of 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide (CID 103723452) is 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide is CSC1CCCC(NC(=O)CNc2ccccc2)C1.
What is the InChIKey of 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide?
The InChIKey is OOOUDZQXTJWNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-19-14-9-5-8-13(10-14)17-15(18)11-16-12-6-3-2-4-7-12/h2-4,6-7,13-14,16H,5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide?
2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-methylsulfanylcyclohexyl)acetamide is sourced from PubChem (CID 103723452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).