1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

C19H21N3O4S — CID 17152088

IUPAC1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)c(C)c1
InChIInChI=1S/C19H21N3O4S/c1-12-3-8-17(13(2)9-12)22-11-14(10-18(22)23)19(24)21-15-4-6-16(7-5-15)27(20,25)26/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyLUSZTTRIYYFRNX-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.94
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide

1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (PubChem CID 17152088) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
PubChem CID17152088
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)c(C)c1
InChIInChI=1S/C19H21N3O4S/c1-12-3-8-17(13(2)9-12)22-11-14(10-18(22)23)19(24)21-15-4-6-16(7-5-15)27(20,25)26/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26)
InChIKeyLUSZTTRIYYFRNX-UHFFFAOYSA-N
XLogP1.94
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 17151831
1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152171
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 41025656
1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160137
(3S)-1-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220441
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152213
1-(2,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113186070
(3R)-N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056162
1-(2,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152203
1-(2,4-dimethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152230
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide (CID 17152088) is 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is LUSZTTRIYYFRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-3-8-17(13(2)9-12)22-11-14(10-18(22)23)19(24)21-15-4-6-16(7-5-15)27(20,25)26/h3-9,14H,10-11H2,1-2H3,(H,21,24)(H2,20,25,26).
What are the key properties of 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide?
1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 17152088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).