1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea

C23H24N2O3S — CID 155612864

IUPAC1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17(2)19-8-12-21(13-9-19)29(27,28)22-14-10-20(11-15-22)25-23(26)24-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H2,24,25,26)
InChIKeyXAJGRXRIGHDVIR-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.96
Rot. Bonds6

About 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea

1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea (PubChem CID 155612864) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
PubChem CID155612864
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea
SMILESCC(C)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-17(2)19-8-12-21(13-9-19)29(27,28)22-14-10-20(11-15-22)25-23(26)24-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H2,24,25,26)
InChIKeyXAJGRXRIGHDVIR-UHFFFAOYSA-N
XLogP4.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(benzenesulfonyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824686
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-benzyl-3-[4-[(2-chlorophenyl)sulfamoyl]phenyl]urea
CID 135223291
N-[4-(benzylcarbamoylamino)phenyl]-3-methylbutanamide
CID 32537851
1-(2,2-diphenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 3343783
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[4-(4-chlorophenyl)sulfonylphenyl]-3-[(1-oxidopyridin-1-ium-3-yl)methyl]urea
CID 66611830
1-[4-(benzenesulfonyl)phenyl]-3-[[6-(dimethylamino)-3-pyridinyl]methyl]urea
CID 66614451
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea?
The IUPAC name of 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea (CID 155612864) is 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea.
What is the SMILES notation for 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea?
The canonical SMILES for 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea is CC(C)c1ccc(S(=O)(=O)c2ccc(NC(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea?
The InChIKey is XAJGRXRIGHDVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-17(2)19-8-12-21(13-9-19)29(27,28)22-14-10-20(11-15-22)25-23(26)24-16-18-6-4-3-5-7-18/h3-15,17H,16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea?
1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea has a molecular weight of 408.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(4-propan-2-ylphenyl)sulfonylphenyl]urea is sourced from PubChem (CID 155612864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).