N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide

C15H21NOS — CID 107421052

IUPACN-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC1CCCC1CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H21NOS/c1-11-3-2-4-13(11)10-16-15(17)9-12-5-7-14(18)8-6-12/h5-8,11,13,18H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyXHIXMYRJBOGCEV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.07
Rot. Bonds4

About N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide

N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107421052) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107421052
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC1CCCC1CNC(=O)Cc1ccc(S)cc1
InChIInChI=1S/C15H21NOS/c1-11-3-2-4-13(11)10-16-15(17)9-12-5-7-14(18)8-6-12/h5-8,11,13,18H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyXHIXMYRJBOGCEV-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420165
N-[(4-hydroxycyclohexyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 106137813
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241
N-cyclobutyl-2-(4-sulfanylphenyl)acetamide
CID 107028316
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 115597585
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(4-chlorophenyl)acetamide
CID 113273831
(2-methylcyclopentyl)methylurea
CID 107417745
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide (CID 107421052) is N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide is CC1CCCC1CNC(=O)Cc1ccc(S)cc1.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is XHIXMYRJBOGCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-11-3-2-4-13(11)10-16-15(17)9-12-5-7-14(18)8-6-12/h5-8,11,13,18H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107421052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).