1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea

C22H22N2OS — CID 3807651

IUPAC1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H22N2OS/c1-26-20-14-8-13-19(15-20)24-22(25)23-16-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H2,23,24,25)
InChIKeyHRZWRFHZYPDOCH-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.36
Rot. Bonds6

About 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea

1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 3807651) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID3807651
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H22N2OS/c1-26-20-14-8-13-19(15-20)24-22(25)23-16-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H2,23,24,25)
InChIKeyHRZWRFHZYPDOCH-UHFFFAOYSA-N
XLogP5.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3-methylsulfanylphenyl)urea
CID 92876044
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 111120381
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
2,2-dimethyl-3-[(3-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 113308072
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
2-methyl-5-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 104686088
(2R)-2-methoxy-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 124616033

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea (CID 3807651) is 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is HRZWRFHZYPDOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-26-20-14-8-13-19(15-20)24-22(25)23-16-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H2,23,24,25).
What are the key properties of 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea?
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 362.50 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 3807651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).