1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea

C27H30N2O3S — CID 141030160

IUPAC1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1cccc(NC(=O)NC(c2ccccc2)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C27H30N2O3S/c1-33(31,32)25-14-8-13-24(19-25)28-27(30)29-26(22-11-6-3-7-12-22)23-17-15-21(16-18-23)20-9-4-2-5-10-20/h3,6-8,11-20,26H,2,4-5,9-10H2,1H3,(H2,28,29,30)
InChIKeyZETAUAIPQZMXOS-UHFFFAOYSA-N
MW462.62 g/mol
LogP6.05
Rot. Bonds6

About 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea

1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea (PubChem CID 141030160) has the molecular formula C27H30N2O3S and a molecular weight of 462.62 g/mol. Its IUPAC name is 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea
PubChem CID141030160
Molecular FormulaC27H30N2O3S
Molecular Weight462.62 g/mol
Exact Mass462.20
IUPAC Name1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea
SMILESCS(=O)(=O)c1cccc(NC(=O)NC(c2ccccc2)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C27H30N2O3S/c1-33(31,32)25-14-8-13-24(19-25)28-27(30)29-26(22-11-6-3-7-12-22)23-17-15-21(16-18-23)20-9-4-2-5-10-20/h3,6-8,11-20,26H,2,4-5,9-10H2,1H3,(H2,28,29,30)
InChIKeyZETAUAIPQZMXOS-UHFFFAOYSA-N
XLogP6.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)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

3-[[4-[(4-cyclohexylphenyl)-[[3-[ethyl(phenyl)sulfamoyl]phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid
CID 68908696
1-[(4-cyclohexylphenyl)-phenylmethyl]-3-[(1R)-1-phenylethyl]urea
CID 141030171
3-[[4-[(4-cyclohexylphenyl)-[(3-iodophenyl)carbamoylamino]methyl]benzoyl]amino]propanoic acid
CID 20636975
1-benzhydryl-3-[3-(phenylcarbamoylamino)phenyl]sulfonylurea
CID 154259297
N-(3-methylsulfonylphenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
CID 75526156
3-[[4-[(4-cyclohexylphenyl)-[[3-(trifluoromethyl)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid
CID 20636991
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
1-[4-[(4-cyclopentylphenyl)methylsulfonyl]phenyl]-3-[(1S)-1-phenylethyl]urea
CID 161354866
[2-(3-methylsulfonylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8980932
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
N-[cyclopropyl(phenyl)methyl]-3-methylsulfonylaniline
CID 61313567
[3-(benzhydrylcarbamoylamino)phenyl] acetate
CID 108865115

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea?
The IUPAC name of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea (CID 141030160) is 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea?
The canonical SMILES for 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea is CS(=O)(=O)c1cccc(NC(=O)NC(c2ccccc2)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea?
The InChIKey is ZETAUAIPQZMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S/c1-33(31,32)25-14-8-13-24(19-25)28-27(30)29-26(22-11-6-3-7-12-22)23-17-15-21(16-18-23)20-9-4-2-5-10-20/h3,6-8,11-20,26H,2,4-5,9-10H2,1H3,(H2,28,29,30).
What are the key properties of 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea?
1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea has a molecular weight of 462.62 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylphenyl)-phenylmethyl]-3-(3-methylsulfonylphenyl)urea is sourced from PubChem (CID 141030160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).