N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide

C14H18ClNO3S2 — CID 122144774

IUPACN-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide
SMILESCSc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO3S2/c1-20-13-7-6-10(8-12(13)15)16-14(17)9-21(18,19)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyJRPCQOPROPXRQH-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.36
Rot. Bonds5

About N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide

N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide (PubChem CID 122144774) has the molecular formula C14H18ClNO3S2 and a molecular weight of 347.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide
PubChem CID122144774
Molecular FormulaC14H18ClNO3S2
Molecular Weight347.89 g/mol
Exact Mass347.04
IUPAC NameN-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide
SMILESCSc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO3S2/c1-20-13-7-6-10(8-12(13)15)16-14(17)9-21(18,19)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17)
InChIKeyJRPCQOPROPXRQH-UHFFFAOYSA-N
XLogP3.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
CID 119772469
N-(3-chloro-4-methylsulfanylphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 122159559
2-[(3-chloro-4-methylsulfanylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976871
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-cyclopentylsulfonylacetamide
CID 78884233
N-(4-chlorophenyl)-2-piperidin-3-ylsulfonylacetamide
CID 84755057
N-(3-chloro-4-methylsulfanylphenyl)-5-ethyloxolane-2-carboxamide
CID 71854968
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
1-(3-chloro-4-methylsulfanylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 71864855

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide?
The IUPAC name of N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide (CID 122144774) is N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide?
The canonical SMILES for N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide is CSc1ccc(NC(=O)CS(=O)(=O)C2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide?
The InChIKey is JRPCQOPROPXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S2/c1-20-13-7-6-10(8-12(13)15)16-14(17)9-21(18,19)11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide?
N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide has a molecular weight of 347.89 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylsulfonylacetamide is sourced from PubChem (CID 122144774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).