1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea

C24H25N3O4S — CID 2958009

IUPAC1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1
InChIInChI=1S/C24H25N3O4S/c1-15-12-16(2)23(17(3)13-15)27-32(30,31)22-10-8-20(9-11-22)25-24(29)26-21-7-5-6-19(14-21)18(4)28/h5-14,27H,1-4H3,(H2,25,26,29)
InChIKeyVDBWEOUANCGRNQ-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.26
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea

1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea (PubChem CID 2958009) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
PubChem CID2958009
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1
InChIInChI=1S/C24H25N3O4S/c1-15-12-16(2)23(17(3)13-15)27-32(30,31)22-10-8-20(9-11-22)25-24(29)26-21-7-5-6-19(14-21)18(4)28/h5-14,27H,1-4H3,(H2,25,26,29)
InChIKeyVDBWEOUANCGRNQ-UHFFFAOYSA-N
XLogP5.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-acetylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108991665
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
1-(3-acetylphenyl)-3-[4-(phenylsulfamoyl)phenyl]thiourea
CID 25237665
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
2-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzamide
CID 1333791
2-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 7068760
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea (CID 2958009) is 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea is CC(=O)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea?
The InChIKey is VDBWEOUANCGRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-15-12-16(2)23(17(3)13-15)27-32(30,31)22-10-8-20(9-11-22)25-24(29)26-21-7-5-6-19(14-21)18(4)28/h5-14,27H,1-4H3,(H2,25,26,29).
What are the key properties of 1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea?
1-(3-acetylphenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea has a molecular weight of 451.55 g/mol, XLogP of 5.26, 6 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-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 2958009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).