(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H23N3O5S — CID 37257952

IUPAC(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H23N3O5S/c1-13-4-7-16(8-5-13)23-12-14(10-19(23)24)20(25)21-15-6-9-17(18(11-15)28-2)22-29(3,26)27/h4-9,11,14,22H,10,12H2,1-3H3,(H,21,25)/t14-/m1/s1
InChIKeyLISNUMLHRVAUCP-CQSZACIVSA-N
MW417.49 g/mol
LogP2.37
Rot. Bonds6

About (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 37257952) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID37257952
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H23N3O5S/c1-13-4-7-16(8-5-13)23-12-14(10-19(23)24)20(25)21-15-6-9-17(18(11-15)28-2)22-29(3,26)27/h4-9,11,14,22H,10,12H2,1-3H3,(H,21,25)/t14-/m1/s1
InChIKeyLISNUMLHRVAUCP-CQSZACIVSA-N
XLogP2.37
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
methyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189485
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9071839
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46478090
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 37257952) is (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1NS(C)(=O)=O.
What is the InChIKey of (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LISNUMLHRVAUCP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-4-7-16(8-5-13)23-12-14(10-19(23)24)20(25)21-15-6-9-17(18(11-15)28-2)22-29(3,26)27/h4-9,11,14,22H,10,12H2,1-3H3,(H,21,25)/t14-/m1/s1.
What are the key properties of (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(methanesulfonamido)-3-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 37257952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).