2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid

C15H20N2O6S — CID 119223228

IUPAC2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)O
InChIInChI=1S/C15H20N2O6S/c1-3-11(15(19)20)16-14(18)9-4-7-12(23-2)13(8-9)24(21,22)17-10-5-6-10/h4,7-8,10-11,17H,3,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBADYXUXGTFMXEP-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.73
Rot. Bonds8

About 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid

2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid (PubChem CID 119223228) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
PubChem CID119223228
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)O
InChIInChI=1S/C15H20N2O6S/c1-3-11(15(19)20)16-14(18)9-4-7-12(23-2)13(8-9)24(21,22)17-10-5-6-10/h4,7-8,10-11,17H,3,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyBADYXUXGTFMXEP-UHFFFAOYSA-N
XLogP0.73
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9453559
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-(1-aminohexan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119665887
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
CID 119205722
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119586321
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid (CID 119223228) is 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid is CCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid?
The InChIKey is BADYXUXGTFMXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-3-11(15(19)20)16-14(18)9-4-7-12(23-2)13(8-9)24(21,22)17-10-5-6-10/h4,7-8,10-11,17H,3,5-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid?
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid has a molecular weight of 356.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid is sourced from PubChem (CID 119223228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).