1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C16H18N4O4S2 — CID 45495588

IUPAC1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C16H18N4O4S2/c1-19(2)26(23,24)13-5-3-12(4-6-13)20-10-11(9-14(20)21)15(22)18-16-17-7-8-25-16/h3-8,11H,9-10H2,1-2H3,(H,17,18,22)
InChIKeyRBJPAUFEDXRHRU-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.38
Rot. Bonds5

About 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 45495588) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID45495588
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Name1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
InChIInChI=1S/C16H18N4O4S2/c1-19(2)26(23,24)13-5-3-12(4-6-13)20-10-11(9-14(20)21)15(22)18-16-17-7-8-25-16/h3-8,11H,9-10H2,1-2H3,(H,17,18,22)
InChIKeyRBJPAUFEDXRHRU-UHFFFAOYSA-N
XLogP1.38
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[4-(dimethylsulfamoyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51721805
(3S)-1-(4-morpholin-4-ylsulfonylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 51717441
(3R)-1-(4-methylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2218530
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
N-(1,3-benzothiazol-2-yl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45490957
N-cyclopropyl-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45491488
1-[4-[methyl(1,3-thiazol-2-ylmethyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 154744361
(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51720732
(3R)-1-(3-chlorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2236459
1-(4-fluorophenyl)-5-oxo-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 42655612
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
1-(2,5-dimethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3160101

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 45495588) is 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is RBJPAUFEDXRHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-19(2)26(23,24)13-5-3-12(4-6-13)20-10-11(9-14(20)21)15(22)18-16-17-7-8-25-16/h3-8,11H,9-10H2,1-2H3,(H,17,18,22).
What are the key properties of 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 45495588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).