N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide

C15H21NOS — CID 107030073

IUPACN-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC1(CNC(=O)Cc2ccc(S)cc2)CCCC1
InChIInChI=1S/C15H21NOS/c1-15(8-2-3-9-15)11-16-14(17)10-12-4-6-13(18)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyNZHGFHWKZKZHPZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.21
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide

N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide (PubChem CID 107030073) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
PubChem CID107030073
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC NameN-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide
SMILESCC1(CNC(=O)Cc2ccc(S)cc2)CCCC1
InChIInChI=1S/C15H21NOS/c1-15(8-2-3-9-15)11-16-14(17)10-12-4-6-13(18)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyNZHGFHWKZKZHPZ-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
2-(2-hydroxyphenyl)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103738243
2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
CID 119812218
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107023123
2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
CID 119782137
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-(2-hydroxyphenyl)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722422
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
2-anilino-N-[(1-methylcyclohexyl)methyl]acetamide
CID 103813000
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
N-[(2-methylcyclopropyl)methyl]-2-(4-sulfanylphenyl)acetamide
CID 107035035

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide (CID 107030073) is N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide is CC1(CNC(=O)Cc2ccc(S)cc2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
The InChIKey is NZHGFHWKZKZHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-15(8-2-3-9-15)11-16-14(17)10-12-4-6-13(18)7-5-12/h4-7,18H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide?
N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide has a molecular weight of 263.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107030073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).