2-(4-cyclopentylsulfanylanilino)acetamide

C13H18N2OS — CID 96676524

IUPAC2-(4-cyclopentylsulfanylanilino)acetamide
SMILESNC(=O)CNc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C13H18N2OS/c14-13(16)9-15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2,(H2,14,16)
InChIKeyGHOWGIMUCWCBIQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-cyclopentylsulfanylanilino)acetamide

2-(4-cyclopentylsulfanylanilino)acetamide (PubChem CID 96676524) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfanylanilino)acetamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfanylanilino)acetamide
PubChem CID96676524
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(4-cyclopentylsulfanylanilino)acetamide
SMILESNC(=O)CNc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C13H18N2OS/c14-13(16)9-15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2,(H2,14,16)
InChIKeyGHOWGIMUCWCBIQ-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
N-(cyclohexylmethyl)-4-cyclopentylsulfanylaniline
CID 43726315
4-cyclopentylsulfanyl-N-prop-2-ynylaniline
CID 63953079
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 43700029
2-(4-cyclopentyloxyanilino)acetamide
CID 70088108
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
2-[4-(cyclopentylmethoxy)anilino]acetamide
CID 69098932
methyl 2-(4-cyclopentylsulfanylanilino)butanoate
CID 115352806
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
2-(4-aminoanilino)acetamide
CID 19048353

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfanylanilino)acetamide?
The IUPAC name of 2-(4-cyclopentylsulfanylanilino)acetamide (CID 96676524) is 2-(4-cyclopentylsulfanylanilino)acetamide.
What is the SMILES notation for 2-(4-cyclopentylsulfanylanilino)acetamide?
The canonical SMILES for 2-(4-cyclopentylsulfanylanilino)acetamide is NC(=O)CNc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 2-(4-cyclopentylsulfanylanilino)acetamide?
The InChIKey is GHOWGIMUCWCBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c14-13(16)9-15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2,(H2,14,16).
What are the key properties of 2-(4-cyclopentylsulfanylanilino)acetamide?
2-(4-cyclopentylsulfanylanilino)acetamide has a molecular weight of 250.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfanylanilino)acetamide is sourced from PubChem (CID 96676524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).