1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea

C16H18N2O2S — CID 17087564

IUPAC1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCOc1ccccc1CNC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C16H18N2O2S/c1-20-15-9-4-3-6-12(15)11-17-16(19)18-13-7-5-8-14(10-13)21-2/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyAWXPLMIHGCTNQU-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.74
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea

1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 17087564) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
PubChem CID17087564
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
SMILESCOc1ccccc1CNC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C16H18N2O2S/c1-20-15-9-4-3-6-12(15)11-17-16(19)18-13-7-5-8-14(10-13)21-2/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyAWXPLMIHGCTNQU-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 121137400
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea (CID 17087564) is 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea is COc1ccccc1CNC(=O)Nc1cccc(SC)c1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is AWXPLMIHGCTNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-15-9-4-3-6-12(15)11-17-16(19)18-13-7-5-8-14(10-13)21-2/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea?
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 302.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 17087564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).