3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid

C17H24N2O5S — CID 119256710

IUPAC3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C)(C(=O)O)C2)cc1
InChIInChI=1S/C17H24N2O5S/c1-12(2)10-18-25(23,24)14-6-4-13(5-7-14)15(20)19-9-8-17(3,11-19)16(21)22/h4-7,12,18H,8-11H2,1-3H3,(H,21,22)
InChIKeyMRQHHFIOHPCMCD-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.56
Rot. Bonds6

About 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119256710) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
PubChem CID119256710
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C)(C(=O)O)C2)cc1
InChIInChI=1S/C17H24N2O5S/c1-12(2)10-18-25(23,24)14-6-4-13(5-7-14)15(20)19-9-8-17(3,11-19)16(21)22/h4-7,12,18H,8-11H2,1-3H3,(H,21,22)
InChIKeyMRQHHFIOHPCMCD-UHFFFAOYSA-N
XLogP1.56
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120804882
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
1-(4-ethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164202
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257445
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 146087240
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
(3S)-1-[4-(acetamidomethyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124681968
1-(3,4-dimethylbenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166899
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
(3S)-3-methyl-1-(4-methyl-3-methylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125132542

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid (CID 119256710) is 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid is CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCC(C)(C(=O)O)C2)cc1.
What is the InChIKey of 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MRQHHFIOHPCMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12(2)10-18-25(23,24)14-6-4-13(5-7-14)15(20)19-9-8-17(3,11-19)16(21)22/h4-7,12,18H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 368.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119256710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).