N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide

C15H21NOS — CID 107021542

IUPACN-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC1CCC(NC(=O)Cc2ccc(S)cc2)CC1
InChIInChI=1S/C15H21NOS/c1-11-2-6-13(7-3-11)16-15(17)10-12-4-8-14(18)9-5-12/h4-5,8-9,11,13,18H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyKRRQCMNSIJSMCT-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.21
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide

N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107021542) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107021542
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
SMILESCC1CCC(NC(=O)Cc2ccc(S)cc2)CC1
InChIInChI=1S/C15H21NOS/c1-11-2-6-13(7-3-11)16-15(17)10-12-4-8-14(18)9-5-12/h4-5,8-9,11,13,18H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyKRRQCMNSIJSMCT-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.21
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-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
N-(3,5-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030984
N-(3,4-dimethylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107030998
2-(4-ethoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 78785999
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-cyclopropyl-2-phenylacetamide
CID 5175687
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772
N-(1-ethylpiperidin-3-yl)-2-(4-sulfanylphenyl)acetamide
CID 107025229
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
2-[4-(aminomethyl)phenoxy]-N-(4-methylcyclohexyl)acetamide
CID 16796047

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide (CID 107021542) is N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide is CC1CCC(NC(=O)Cc2ccc(S)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is KRRQCMNSIJSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-2-6-13(7-3-11)16-15(17)10-12-4-8-14(18)9-5-12/h4-5,8-9,11,13,18H,2-3,6-7,10H2,1H3,(H,16,17).
What are the key properties of N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide?
N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107021542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).