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

C25H25N3O5S — CID 40932410

IUPAC(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)CC2=O)c1
InChIInChI=1S/C25H25N3O5S/c1-17-6-8-20(9-7-17)27-34(31,32)23-12-10-19(11-13-23)26-25(30)18-14-24(29)28(16-18)21-4-3-5-22(15-21)33-2/h3-13,15,18,27H,14,16H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyBWZAYZFIJSHQSG-GOSISDBHSA-N
MW479.56 g/mol
LogP3.80
Rot. Bonds7

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

(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40932410) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40932410
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)CC2=O)c1
InChIInChI=1S/C25H25N3O5S/c1-17-6-8-20(9-7-17)27-34(31,32)23-12-10-19(11-13-23)26-25(30)18-14-24(29)28(16-18)21-4-3-5-22(15-21)33-2/h3-13,15,18,27H,14,16H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyBWZAYZFIJSHQSG-GOSISDBHSA-N
XLogP3.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304
1-(1,3-benzodioxol-5-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55581237
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152171
1-(3-methylphenyl)-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120650
1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46468650
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30873940
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424432
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
(3R)-N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375649

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 40932410) is (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3)CC2=O)c1.
What is the InChIKey of (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BWZAYZFIJSHQSG-GOSISDBHSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-17-6-8-20(9-7-17)27-34(31,32)23-12-10-19(11-13-23)26-25(30)18-14-24(29)28(16-18)21-4-3-5-22(15-21)33-2/h3-13,15,18,27H,14,16H2,1-2H3,(H,26,30)/t18-/m1/s1.
What are the key properties of (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40932410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).