3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid

C14H15Cl2NO3S — CID 66032727

IUPAC3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1cc(Cl)ccc1Cl)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H15Cl2NO3S/c15-9-2-4-11(16)12(6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyJBJSAYWVXJFDKO-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.45
Rot. Bonds5

About 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66032727) has the molecular formula C14H15Cl2NO3S and a molecular weight of 348.25 g/mol. Its IUPAC name is 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66032727
Molecular FormulaC14H15Cl2NO3S
Molecular Weight348.25 g/mol
Exact Mass347.01
IUPAC Name3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1cc(Cl)ccc1Cl)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H15Cl2NO3S/c15-9-2-4-11(16)12(6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20)
InChIKeyJBJSAYWVXJFDKO-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031331
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
trans-(1R,3R)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 99774631
cis-(1R,3S)-3-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
CID 99774632
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
2-cyano-N-cyclopropyl-4-(2,5-dichlorophenyl)sulfanyl-3-oxobutanamide
CID 91641622
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
3-[3-(2,5-dichlorophenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110070

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid (CID 66032727) is 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid is O=C(CSc1cc(Cl)ccc1Cl)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JBJSAYWVXJFDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3S/c15-9-2-4-11(16)12(6-9)21-7-13(18)17-10-3-1-8(5-10)14(19)20/h2,4,6,8,10H,1,3,5,7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 348.25 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).