N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H27N3O4S — CID 42946595

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1
InChIInChI=1S/C22H27N3O4S/c1-5-16-7-6-8-19(11-16)25-14-17(12-21(25)26)22(27)23-18-10-9-15(2)20(13-18)30(28,29)24(3)4/h6-11,13,17H,5,12,14H2,1-4H3,(H,23,27)
InChIKeyGIQKITJEORZIIW-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.80
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42946595) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42946595
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(N2CC(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1
InChIInChI=1S/C22H27N3O4S/c1-5-16-7-6-8-19(11-16)25-14-17(12-21(25)26)22(27)23-18-10-9-15(2)20(13-18)30(28,29)24(3)4/h6-11,13,17H,5,12,14H2,1-4H3,(H,23,27)
InChIKeyGIQKITJEORZIIW-UHFFFAOYSA-N
XLogP2.80
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 16545932
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
1-(3-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953029
N-(3-cyanophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946600
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
methyl 4-[[1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42946684
N-(2,3-dimethylphenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946643
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
1-(3-ethylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 43053907
1-(3-ethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42947097
1-(3-bromophenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190290

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 42946595) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(N2CC(C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GIQKITJEORZIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-5-16-7-6-8-19(11-16)25-14-17(12-21(25)26)22(27)23-18-10-9-15(2)20(13-18)30(28,29)24(3)4/h6-11,13,17H,5,12,14H2,1-4H3,(H,23,27).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42946595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).