3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid

C13H14ClNO4S — CID 64890600

IUPAC3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CSc1ccc(Cl)cc1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H14ClNO4S/c14-9-1-3-10(4-2-9)20-7-11(16)15-13(12(17)18)5-6-19-8-13/h1-4H,5-8H2,(H,15,16)(H,17,18)
InChIKeyCYRQYTKKMJLKOX-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.79
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid

3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid (PubChem CID 64890600) has the molecular formula C13H14ClNO4S and a molecular weight of 315.78 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
PubChem CID64890600
Molecular FormulaC13H14ClNO4S
Molecular Weight315.78 g/mol
Exact Mass315.03
IUPAC Name3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(CSc1ccc(Cl)cc1)NC1(C(=O)O)CCOC1
InChIInChI=1S/C13H14ClNO4S/c14-9-1-3-10(4-2-9)20-7-11(16)15-13(12(17)18)5-6-19-8-13/h1-4H,5-8H2,(H,15,16)(H,17,18)
InChIKeyCYRQYTKKMJLKOX-UHFFFAOYSA-N
XLogP1.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(4-methylphenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890387
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890580
4-[(2-pyridin-4-ylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291568
2-(4-chlorophenyl)sulfanyl-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115877823
3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64890946
1-[3-(4-chlorophenyl)sulfanylpropanoylamino]cyclopropane-1-carboxylic acid
CID 65452594
3-(butanoylamino)oxolane-3-carboxylic acid
CID 64889566
3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889569
1-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]cyclobutane-1-carboxylic acid
CID 81157954
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]oxolane-3-carboxylic acid
CID 64889000
3-[(5-chloro-2-iodobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925892
3-[[2-(2,6-dimethylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 120688786

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid (CID 64890600) is 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid is O=C(CSc1ccc(Cl)cc1)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is CYRQYTKKMJLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4S/c14-9-1-3-10(4-2-9)20-7-11(16)15-13(12(17)18)5-6-19-8-13/h1-4H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 315.78 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64890600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).