2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide

C13H16ClNOS — CID 43700029

IUPAC2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C13H16ClNOS/c14-9-13(16)15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyAVFXYXXPBPVENN-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.90
Rot. Bonds4

About 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide

2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide (PubChem CID 43700029) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
PubChem CID43700029
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide
SMILESO=C(CCl)Nc1ccc(SC2CCCC2)cc1
InChIInChI=1S/C13H16ClNOS/c14-9-13(16)15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16)
InChIKeyAVFXYXXPBPVENN-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-cyclopentylsulfanylphenyl)propanamide
CID 43710113
N-(4-cyclopentylsulfanylphenyl)-4-hydroxybutanamide
CID 79200166
N-(4-cyclopentylsulfanylphenyl)cyclopentanecarboxamide
CID 37400543
1-tert-butyl-3-(4-cyclopentylsulfanylphenyl)urea
CID 112840313
N-(4-cyclopentylsulfanylphenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 46423104
2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 120623308
2-(4-cyclopentylsulfanylanilino)acetamide
CID 96676524
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
N-(4-cyclopentylsulfanylphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070420
N-(4-cyclopentylsulfanylphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070419
(2R)-2-amino-N-(4-cyclopentylsulfanylphenyl)propanamide;hydrochloride
CID 119293414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide (CID 43700029) is 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide is O=C(CCl)Nc1ccc(SC2CCCC2)cc1.
What is the InChIKey of 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide?
The InChIKey is AVFXYXXPBPVENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNOS/c14-9-13(16)15-10-5-7-12(8-6-10)17-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,16).
What are the key properties of 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide?
2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide has a molecular weight of 269.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyclopentylsulfanylphenyl)acetamide is sourced from PubChem (CID 43700029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).