1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea

C16H17N3O4S — CID 2954248

IUPAC1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
SMILESCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C16H17N3O4S/c1-11(20)12-4-3-5-14(10-12)19-16(21)18-13-6-8-15(9-7-13)24(22,23)17-2/h3-10,17H,1-2H3,(H2,18,19,21)
InChIKeyBEUUFECVWGDJFX-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.44
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea

1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea (PubChem CID 2954248) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
PubChem CID2954248
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
SMILESCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C16H17N3O4S/c1-11(20)12-4-3-5-14(10-12)19-16(21)18-13-6-8-15(9-7-13)24(22,23)17-2/h3-10,17H,1-2H3,(H2,18,19,21)
InChIKeyBEUUFECVWGDJFX-UHFFFAOYSA-N
XLogP2.44
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
CID 2958009
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
1-(3-acetylphenyl)-3-[4-(propan-2-ylsulfonylmethyl)phenyl]urea
CID 51130126
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
1-[4-(tert-butylsulfamoyl)phenyl]-3-(3-chlorophenyl)urea
CID 1226693
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
1-(3-acetylphenyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 2209520
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 2985508

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea (CID 2954248) is 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea is CNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
The InChIKey is BEUUFECVWGDJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11(20)12-4-3-5-14(10-12)19-16(21)18-13-6-8-15(9-7-13)24(22,23)17-2/h3-10,17H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea?
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea has a molecular weight of 347.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea is sourced from PubChem (CID 2954248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).