1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid

C15H22N2O5S — CID 146134184

IUPAC1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1CCN(C)S(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H22N2O5S/c1-16(11-9-12-6-3-4-8-14(12)22-2)23(20,21)17-10-5-7-13(17)15(18)19/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyPJQGVQGHPGNOME-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.96
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid

1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 146134184) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
PubChem CID146134184
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1CCN(C)S(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H22N2O5S/c1-16(11-9-12-6-3-4-8-14(12)22-2)23(20,21)17-10-5-7-13(17)15(18)19/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyPJQGVQGHPGNOME-UHFFFAOYSA-N
XLogP0.96
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid
CID 71941905
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136579692
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
2-[(2R)-1-[methyl(2-phenylethyl)sulfamoyl]pyrrolidin-2-yl]acetic acid
CID 166267257
4-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110626952
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776524
2-[2-[methyl(pyrrolidin-1-ylsulfonyl)amino]ethyl]benzoic acid
CID 104547128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid (CID 146134184) is 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid is COc1ccccc1CCN(C)S(=O)(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is PJQGVQGHPGNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-16(11-9-12-6-3-4-8-14(12)22-2)23(20,21)17-10-5-7-13(17)15(18)19/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl-methylsulfamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 146134184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).