1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea

C19H21N3O4S — CID 2209389

IUPAC1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(23)15-4-6-16(7-5-15)20-19(24)21-17-8-10-18(11-9-17)27(25,26)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H2,20,21,24)
InChIKeyHWQGCKJRIPQHJO-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea

1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea (PubChem CID 2209389) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
PubChem CID2209389
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-14(23)15-4-6-16(7-5-15)20-19(24)21-17-8-10-18(11-9-17)27(25,26)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H2,20,21,24)
InChIKeyHWQGCKJRIPQHJO-UHFFFAOYSA-N
XLogP3.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-(4-Acetylphenyl)ureido)benzenesulfonamide
CID 27870796
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
N-{[(4-acetylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11463026
4-{[(1E)-3-(4-methylphenyl)-3-oxoprop-1-en-1-yl]amino}benzenesulfonamide
CID 1938971
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408
4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2461859
4-(Pyrrolidine-1-sulfonyl)-N-o-tolyl-benzamide
CID 3147990
N-[3-(dimethylsulfamoyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4875218
N-(4-acetylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7586386

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea (CID 2209389) is 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
The InChIKey is HWQGCKJRIPQHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-14(23)15-4-6-16(7-5-15)20-19(24)21-17-8-10-18(11-9-17)27(25,26)22-12-2-3-13-22/h4-11H,2-3,12-13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea?
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea has a molecular weight of 387.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 2209389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).