1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H21N3O5S — CID 46468650

IUPAC1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C19H21N3O5S/c1-20-28(25,26)17-8-3-5-14(10-17)21-19(24)13-9-18(23)22(12-13)15-6-4-7-16(11-15)27-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,24)
InChIKeyPZSFYQIZJQFZMS-UHFFFAOYSA-N
MW403.46 g/mol
LogP1.59
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46468650) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46468650
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1
InChIInChI=1S/C19H21N3O5S/c1-20-28(25,26)17-8-3-5-14(10-17)21-19(24)13-9-18(23)22(12-13)15-6-4-7-16(11-15)27-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,24)
InChIKeyPZSFYQIZJQFZMS-UHFFFAOYSA-N
XLogP1.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
methyl 2-chloro-5-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42947593
(3S)-N-(1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388404
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
(3R)-1-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 52537693
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46468650) is 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CNS(=O)(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(OC)c3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PZSFYQIZJQFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-20-28(25,26)17-8-3-5-14(10-17)21-19(24)13-9-18(23)22(12-13)15-6-4-7-16(11-15)27-2/h3-8,10-11,13,20H,9,12H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46468650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).