1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid

C16H22N2O5S — CID 119257445

IUPAC1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C16H22N2O5S/c1-4-17-24(22,23)12-6-5-11(2)13(9-12)14(19)18-8-7-16(3,10-18)15(20)21/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,20,21)
InChIKeyAUWDWGWDXOMBBM-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.23
Rot. Bonds5

About 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 119257445) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID119257445
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C16H22N2O5S/c1-4-17-24(22,23)12-6-5-11(2)13(9-12)14(19)18-8-7-16(3,10-18)15(20)21/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,20,21)
InChIKeyAUWDWGWDXOMBBM-UHFFFAOYSA-N
XLogP1.23
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 27658634
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
N-ethyl-3-(4-ethylpiperazine-1-carbonyl)-4-methylbenzenesulfonamide
CID 78782911
N-ethyl-4-methyl-3-(4-methylidenepiperidine-1-carbonyl)benzenesulfonamide
CID 52910564
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
1-[[3-(ethylsulfamoyl)phenyl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017256
4-[5-(ethylsulfamoyl)-2-methylbenzoyl]morpholine-2-carboxylic acid
CID 119239991
3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256710
N-ethyl-4-methyl-3-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119543123
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 114099289
3-methyl-1-[3-(naphthalen-2-ylsulfonylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256637

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 119257445) is 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid is CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C)(C(=O)O)C2)c1.
What is the InChIKey of 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is AUWDWGWDXOMBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-4-17-24(22,23)12-6-5-11(2)13(9-12)14(19)18-8-7-16(3,10-18)15(20)21/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,20,21).
What are the key properties of 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylsulfamoyl)-2-methylbenzoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119257445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).