3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid

C17H24N2O5S — CID 119249979

IUPAC3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-17(2,16(21)22)11-18-15(20)12-6-5-9-14(10-12)25(23,24)19-13-7-3-4-8-13/h5-6,9-10,13,19H,3-4,7-8,11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyCNQNZBGMJUZYAB-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.75
Rot. Bonds7

About 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid

3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249979) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249979
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-17(2,16(21)22)11-18-15(20)12-6-5-9-14(10-12)25(23,24)19-13-7-3-4-8-13/h5-6,9-10,13,19H,3-4,7-8,11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyCNQNZBGMJUZYAB-UHFFFAOYSA-N
XLogP1.75
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
2,2-dimethyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119250284
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223890
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid (CID 119249979) is 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)O.
What is the InChIKey of 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is CNQNZBGMJUZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-17(2,16(21)22)11-18-15(20)12-6-5-9-14(10-12)25(23,24)19-13-7-3-4-8-13/h5-6,9-10,13,19H,3-4,7-8,11H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).