N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H27N3O5S — CID 3160789

IUPACN-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16-4-8-19(9-5-16)25-15-17(14-21(25)26)22(27)24-18-6-10-20(11-7-18)31(28,29)23-12-3-13-30-2/h4-11,17,23H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyKNQRQVOHZNRGLV-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.30
Rot. Bonds9

About N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3160789) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3160789
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C22H27N3O5S/c1-16-4-8-19(9-5-16)25-15-17(14-21(25)26)22(27)24-18-6-10-20(11-7-18)31(28,29)23-12-3-13-30-2/h4-11,17,23H,3,12-15H2,1-2H3,(H,24,27)
InChIKeyKNQRQVOHZNRGLV-UHFFFAOYSA-N
XLogP2.30
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40964184
1-(2,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152203
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120183
1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17081244
1-(4-methoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17321737
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41002496
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40964186
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1249284
1-(3,4-dimethylphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 6497658
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3160789) is N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNQRQVOHZNRGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-16-4-8-19(9-5-16)25-15-17(14-21(25)26)22(27)24-18-6-10-20(11-7-18)31(28,29)23-12-3-13-30-2/h4-11,17,23H,3,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3160789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).