N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide

C16H23NOS — CID 107030998

IUPACN-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC1CCC(NC(=O)Cc2ccc(S)cc2)CC1C
InChIInChI=1S/C16H23NOS/c1-11-3-6-14(9-12(11)2)17-16(18)10-13-4-7-15(19)8-5-13/h4-5,7-8,11-12,14,19H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyDBSRWYZPPBRFMS-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.46
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide

N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107030998) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107030998
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC1CCC(NC(=O)Cc2ccc(S)cc2)CC1C
InChIInChI=1S/C16H23NOS/c1-11-3-6-14(9-12(11)2)17-16(18)10-13-4-7-15(19)8-5-13/h4-5,7-8,11-12,14,19H,3,6,9-10H2,1-2H3,(H,17,18)
InChIKeyDBSRWYZPPBRFMS-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
2-[2-[(3,4-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 104601603
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
N-(3,4-dimethylcyclohexyl)-2-(1H-indol-3-yl)acetamide
CID 64742201
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
CID 64743274
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107421052

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide (CID 107030998) is N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide is CC1CCC(NC(=O)Cc2ccc(S)cc2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is DBSRWYZPPBRFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11-3-6-14(9-12(11)2)17-16(18)10-13-4-7-15(19)8-5-13/h4-5,7-8,11-12,14,19H,3,6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 277.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107030998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).