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

C16H22N2O6S — CID 119249130

IUPAC3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C)C(=O)O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H22N2O6S/c1-16(2,15(20)21)9-17-14(19)10-4-7-12(24-3)13(8-10)25(22,23)18-11-5-6-11/h4,7-8,11,18H,5-6,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyDQVTZEAFCIPFLG-UHFFFAOYSA-N
MW370.43 g/mol
LogP0.98
Rot. Bonds8

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

3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 119249130) has the molecular formula C16H22N2O6S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID119249130
Molecular FormulaC16H22N2O6S
Molecular Weight370.43 g/mol
Exact Mass370.12
IUPAC Name3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(C)C(=O)O)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C16H22N2O6S/c1-16(2,15(20)21)9-17-14(19)10-4-7-12(24-3)13(8-10)25(22,23)18-11-5-6-11/h4,7-8,11,18H,5-6,9H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyDQVTZEAFCIPFLG-UHFFFAOYSA-N
XLogP0.98
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
(2S)-2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-3-methylbutanoic acid
CID 119360553
3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 17468943
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]benzamide
CID 34758523
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid (CID 119249130) is 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid is COc1ccc(C(=O)NCC(C)(C)C(=O)O)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is DQVTZEAFCIPFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6S/c1-16(2,15(20)21)9-17-14(19)10-4-7-12(24-3)13(8-10)25(22,23)18-11-5-6-11/h4,7-8,11,18H,5-6,9H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 370.43 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 119249130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).