1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea

C18H20N2O3S — CID 119047504

IUPAC1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)17-10-8-16(9-11-17)20-18(21)19-12-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H2,19,20,21)
InChIKeyHIXVCMQFQLXJGA-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.29
Rot. Bonds5

About 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea

1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea (PubChem CID 119047504) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
PubChem CID119047504
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)17-10-8-16(9-11-17)20-18(21)19-12-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H2,19,20,21)
InChIKeyHIXVCMQFQLXJGA-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea
CID 156824669
1-[(4-methylsulfonylphenyl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 47252542
4-[(4-methylphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108899031
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
1-[(4-methylphenyl)methyl]-3-[4-(oxolan-3-ylmethylsulfonyl)phenyl]urea
CID 156824580
1-[(4-cyclopropylphenyl)methyl]-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 119047537
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
1-[4-(difluoromethylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 47032733

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea?
The IUPAC name of 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea (CID 119047504) is 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea is CS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C3CC3)cc2)cc1.
What is the InChIKey of 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea?
The InChIKey is HIXVCMQFQLXJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24(22,23)17-10-8-16(9-11-17)20-18(21)19-12-13-2-4-14(5-3-13)15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea?
1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea has a molecular weight of 344.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylphenyl)methyl]-3-(4-methylsulfonylphenyl)urea is sourced from PubChem (CID 119047504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).