1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea

C21H26N4O4S — CID 16920224

IUPAC1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCc1ccc(N2CC(CNC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-4-8-18(9-5-15)25-14-16(12-20(25)26)13-22-21(27)23-17-6-10-19(11-7-17)30(28,29)24(2)3/h4-11,16H,12-14H2,1-3H3,(H2,22,23,27)
InChIKeyUVRGECTVKFJZFR-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.42
Rot. Bonds6

About 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea

1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 16920224) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID16920224
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESCc1ccc(N2CC(CNC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-4-8-18(9-5-15)25-14-16(12-20(25)26)13-22-21(27)23-17-6-10-19(11-7-17)30(28,29)24(2)3/h4-11,16H,12-14H2,1-3H3,(H2,22,23,27)
InChIKeyUVRGECTVKFJZFR-UHFFFAOYSA-N
XLogP2.42
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920116
1-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 40913151
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
1-(4-ethoxyphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920193
1-(3-methylphenyl)-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920185
1-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913389
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
1-(2,6-difluorophenyl)-3-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913409
(4S)-4-[(dimethylsulfamoylamino)methyl]-1-(4-methylphenyl)-2-oxopyrrolidine
CID 40912296
1,1-diethyl-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920233
1-(4-chlorophenyl)-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913146
methyl N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 16919084

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea (CID 16920224) is 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea is Cc1ccc(N2CC(CNC(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2=O)cc1.
What is the InChIKey of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is UVRGECTVKFJZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-4-8-18(9-5-15)25-14-16(12-20(25)26)13-22-21(27)23-17-6-10-19(11-7-17)30(28,29)24(2)3/h4-11,16H,12-14H2,1-3H3,(H2,22,23,27).
What are the key properties of 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea?
1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 430.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylsulfamoyl)phenyl]-3-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 16920224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).