1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea

C15H16N2OS — CID 134116571

IUPAC1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C15H16N2OS/c1-16-15(18)17-13-9-7-12(8-10-13)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyPDSFVPPRMPERBO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.73
Rot. Bonds4

About 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea

1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea (PubChem CID 134116571) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
PubChem CID134116571
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C15H16N2OS/c1-16-15(18)17-13-9-7-12(8-10-13)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyPDSFVPPRMPERBO-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

1-(4-benzylphenyl)-3-methylurea
CID 145326557
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-phenyl-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 1316504
2-methylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 2233430
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
1-methyl-3-phenylurea;propane
CID 142949663
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea?
The IUPAC name of 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea (CID 134116571) is 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea is CNC(=O)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea?
The InChIKey is PDSFVPPRMPERBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-16-15(18)17-13-9-7-12(8-10-13)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea?
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]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-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea is sourced from PubChem (CID 134116571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).