2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide

C15H22N2OS — CID 79148174

IUPAC2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
SMILESCc1cc(SCC(=O)NC2CCCCC2)ccc1N
InChIInChI=1S/C15H22N2OS/c1-11-9-13(7-8-14(11)16)19-10-15(18)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyQRPFQEXIAUEDFV-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide

2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide (PubChem CID 79148174) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
PubChem CID79148174
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide
SMILESCc1cc(SCC(=O)NC2CCCCC2)ccc1N
InChIInChI=1S/C15H22N2OS/c1-11-9-13(7-8-14(11)16)19-10-15(18)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyQRPFQEXIAUEDFV-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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-(4-amino-3-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79148069
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide (CID 79148174) is 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide is Cc1cc(SCC(=O)NC2CCCCC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide?
The InChIKey is QRPFQEXIAUEDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11-9-13(7-8-14(11)16)19-10-15(18)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide?
2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide has a molecular weight of 278.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenyl)sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 79148174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).