1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea

C15H15ClN2OS — CID 17087557

IUPAC1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2OS/c1-20-14-4-2-3-13(9-14)18-15(19)17-10-11-5-7-12(16)8-6-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyBQVMAOOLYJZZII-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.38
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea

1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 17087557) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID17087557
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2OS/c1-20-14-4-2-3-13(9-14)18-15(19)17-10-11-5-7-12(16)8-6-11/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyBQVMAOOLYJZZII-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 3837878
1-[(4-methylsulfanylphenyl)methyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3451199
1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
CID 5171614
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
1-(4-chlorophenyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 26086733
1-(3-methylsulfanylphenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031902
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea (CID 17087557) is 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is BQVMAOOLYJZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-20-14-4-2-3-13(9-14)18-15(19)17-10-11-5-7-12(16)8-6-11/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 306.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 17087557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).