2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid

C13H17NO6S — CID 60829007

IUPAC2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)C2CC2)cc1OC
InChIInChI=1S/C13H17NO6S/c1-19-11-6-5-10(7-12(11)20-2)21(17,18)14(8-13(15)16)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyGKTXVKFFFXAUTO-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.94
Rot. Bonds7

About 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid

2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid (PubChem CID 60829007) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
PubChem CID60829007
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)C2CC2)cc1OC
InChIInChI=1S/C13H17NO6S/c1-19-11-6-5-10(7-12(11)20-2)21(17,18)14(8-13(15)16)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)
InChIKeyGKTXVKFFFXAUTO-UHFFFAOYSA-N
XLogP0.94
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic 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

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
2-[(5-bromo-2-methoxyphenyl)sulfonyl-cyclopropylamino]acetic acid
CID 60827550
4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
CID 146134236
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 41263670
N-cycloheptyl-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788557
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 126010723
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43871818
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 126393939
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethylphenyl)acetamide
CID 126010831
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
CID 54945155
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544345

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid (CID 60829007) is 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)C2CC2)cc1OC.
What is the InChIKey of 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is GKTXVKFFFXAUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-19-11-6-5-10(7-12(11)20-2)21(17,18)14(8-13(15)16)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 315.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 60829007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).