1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea

C19H22N2O4S — CID 51130126

IUPAC1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-13(2)26(24,25)12-15-7-9-17(10-8-15)20-19(23)21-18-6-4-5-16(11-18)14(3)22/h4-11,13H,12H2,1-3H3,(H2,20,21,23)
InChIKeyADWVIOIEQCUJOA-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.86
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea

1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea (PubChem CID 51130126) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
PubChem CID51130126
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-13(2)26(24,25)12-15-7-9-17(10-8-15)20-19(23)21-18-6-4-5-16(11-18)14(3)22/h4-11,13H,12H2,1-3H3,(H2,20,21,23)
InChIKeyADWVIOIEQCUJOA-UHFFFAOYSA-N
XLogP3.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]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

1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
1-[4-(3-acetylphenyl)phenyl]-3-(2-propan-2-ylsulfonylethyl)urea
CID 72838907
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
1-(2-hydroxy-2-methylbutyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 56823994
1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
CID 2958009
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)acetate
CID 8609563
1-(3-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886351
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea (CID 51130126) is 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea is CC(=O)c1cccc(NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
The InChIKey is ADWVIOIEQCUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(2)26(24,25)12-15-7-9-17(10-8-15)20-19(23)21-18-6-4-5-16(11-18)14(3)22/h4-11,13H,12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea?
1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea has a molecular weight of 374.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea is sourced from PubChem (CID 51130126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).