N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H23N3O5S — CID 55559120

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)CC2=O)c1
InChIInChI=1S/C20H23N3O5S/c1-12-7-17(29(21,26)27)10-18(13(12)2)22-20(25)14-8-19(24)23(11-14)15-5-4-6-16(9-15)28-3/h4-7,9-10,14H,8,11H2,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyAYUVXKQWVUZDMI-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.95
Rot. Bonds5

About N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55559120) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55559120
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)CC2=O)c1
InChIInChI=1S/C20H23N3O5S/c1-12-7-17(29(21,26)27)10-18(13(12)2)22-20(25)14-8-19(24)23(11-14)15-5-4-6-16(9-15)28-3/h4-7,9-10,14H,8,11H2,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyAYUVXKQWVUZDMI-UHFFFAOYSA-N
XLogP1.95
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964360
1-(3-methoxyphenyl)-N-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55555826
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001
1-(3-methoxyphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 42652015
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 39983041
1-(3-methoxyphenyl)-N-[3-(methylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46468650
(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
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
1-(3-methoxyphenyl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 43053304

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55559120) is N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)CC2=O)c1.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AYUVXKQWVUZDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-12-7-17(29(21,26)27)10-18(13(12)2)22-20(25)14-8-19(24)23(11-14)15-5-4-6-16(9-15)28-3/h4-7,9-10,14H,8,11H2,1-3H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55559120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).