1-benzyl-3-(2-methylsulfanylphenyl)urea

C15H16N2OS — CID 47125363

IUPAC1-benzyl-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-19-14-10-6-5-9-13(14)17-15(18)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyQBZMPCPVFKQORT-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.73
Rot. Bonds4

About 1-benzyl-3-(2-methylsulfanylphenyl)urea

1-benzyl-3-(2-methylsulfanylphenyl)urea (PubChem CID 47125363) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-benzyl-3-(2-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methylsulfanylphenyl)urea
PubChem CID47125363
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-benzyl-3-(2-methylsulfanylphenyl)urea
SMILESCSc1ccccc1NC(=O)NCc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-19-14-10-6-5-9-13(14)17-15(18)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyQBZMPCPVFKQORT-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
CID 94652235
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
1-(2-aminophenyl)-3-benzylurea
CID 86135193
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
CID 47195585
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
2-[2-(benzylcarbamoylamino)phenyl]acetamide
CID 51080430
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007829

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methylsulfanylphenyl)urea?
The IUPAC name of 1-benzyl-3-(2-methylsulfanylphenyl)urea (CID 47125363) is 1-benzyl-3-(2-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-methylsulfanylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2-methylsulfanylphenyl)urea is CSc1ccccc1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methylsulfanylphenyl)urea?
The InChIKey is QBZMPCPVFKQORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-19-14-10-6-5-9-13(14)17-15(18)16-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(2-methylsulfanylphenyl)urea?
1-benzyl-3-(2-methylsulfanylphenyl)urea has a molecular weight of 272.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methylsulfanylphenyl)urea is sourced from PubChem (CID 47125363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).