1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea

C28H26ClN3O3S — CID 15231970

IUPAC1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H26ClN3O3S/c1-20-12-18-25(19-13-20)36(34,35)32-27(22-10-6-3-7-11-22)26(21-8-4-2-5-9-21)31-28(33)30-24-16-14-23(29)15-17-24/h2-19,26-27,32H,1H3,(H2,30,31,33)
InChIKeyOWODVABCYVHWGD-UHFFFAOYSA-N
MW520.05 g/mol
LogP6.23
Rot. Bonds8

About 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea

1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea (PubChem CID 15231970) has the molecular formula C28H26ClN3O3S and a molecular weight of 520.05 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea
PubChem CID15231970
Molecular FormulaC28H26ClN3O3S
Molecular Weight520.05 g/mol
Exact Mass519.14
IUPAC Name1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H26ClN3O3S/c1-20-12-18-25(19-13-20)36(34,35)32-27(22-10-6-3-7-11-22)26(21-8-4-2-5-9-21)31-28(33)30-24-16-14-23(29)15-17-24/h2-19,26-27,32H,1H3,(H2,30,31,33)
InChIKeyOWODVABCYVHWGD-UHFFFAOYSA-N
XLogP6.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.05
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea with MolForge

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Related Compounds

1-carbamoyl-3-[(1R,2S)-2-[(4-chlorophenyl)carbamoylamino]-2-(4-methylphenyl)-1-phenylethyl]urea
CID 57043399
[2-[(4-chlorophenyl)carbamoylamino]-1,2-diphenylethyl]carbamic acid
CID 67780916
1-(4-chlorophenyl)-3-[(1R,2R)-1,2-diphenyl-2-(phenylcarbamoylamino)ethyl]urea
CID 54084890
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
2-[(4-chlorophenyl)sulfonylamino]-N-phenylpropanamide
CID 50740302
4-methyl-N-[(1R,2S)-2-methylsulfanyl-1,2-diphenylethyl]benzenesulfonamide
CID 10971332
N-[(1S,2S)-1-(4-chlorophenyl)-2-methylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11382505
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea (CID 15231970) is 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea is Cc1ccc(S(=O)(=O)NC(c2ccccc2)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea?
The InChIKey is OWODVABCYVHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3S/c1-20-12-18-25(19-13-20)36(34,35)32-27(22-10-6-3-7-11-22)26(21-8-4-2-5-9-21)31-28(33)30-24-16-14-23(29)15-17-24/h2-19,26-27,32H,1H3,(H2,30,31,33).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea?
1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea has a molecular weight of 520.05 g/mol, XLogP of 6.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,2-diphenylethyl]urea is sourced from PubChem (CID 15231970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).