2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid

C17H24N2O5S — CID 119187975

IUPAC2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-10(2)8-15(17(21)22)18-16(20)14-9-13(7-4-11(14)3)25(23,24)19-12-5-6-12/h4,7,9-10,12,15,19H,5-6,8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyJGODGFNXDJBMLU-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.66
Rot. Bonds8

About 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid

2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid (PubChem CID 119187975) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
PubChem CID119187975
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C17H24N2O5S/c1-10(2)8-15(17(21)22)18-16(20)14-9-13(7-4-11(14)3)25(23,24)19-12-5-6-12/h4,7,9-10,12,15,19H,5-6,8H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyJGODGFNXDJBMLU-UHFFFAOYSA-N
XLogP1.66
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119586889
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
N-[cyclopropyl(phenyl)methyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 42890157
5-(cyclopropylsulfamoyl)-2-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 55489119
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
CID 119202227
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
5-(cyclopropylsulfamoyl)-2-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 46679817
2-[1-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]cyclobutyl]acetic acid
CID 119217146
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934577
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
5-(cyclopropylsulfamoyl)-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 35804827

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid (CID 119187975) is 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
The InChIKey is JGODGFNXDJBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-10(2)8-15(17(21)22)18-16(20)14-9-13(7-4-11(14)3)25(23,24)19-12-5-6-12/h4,7,9-10,12,15,19H,5-6,8H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid?
2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid has a molecular weight of 368.46 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119187975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).