(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C15H20N2O5S — CID 2578218

IUPAC(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-3-16(4-2)23(21,22)13-7-5-12(6-8-13)17-10-11(15(19)20)9-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyXNCZUJCDBHKBLN-NSHDSACASA-N
MW340.40 g/mol
LogP1.15
Rot. Bonds6

About (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2578218) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2578218
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C15H20N2O5S/c1-3-16(4-2)23(21,22)13-7-5-12(6-8-13)17-10-11(15(19)20)9-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyXNCZUJCDBHKBLN-NSHDSACASA-N
XLogP1.15
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 55359689
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 51565671
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
1-[4-[methyl(phenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792451
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
(2-methylphenyl)methyl 1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 46669757
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 2578218) is (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1.
What is the InChIKey of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XNCZUJCDBHKBLN-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-16(4-2)23(21,22)13-7-5-12(6-8-13)17-10-11(15(19)20)9-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 340.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2578218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).