(2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate

C16H17NO2S — CID 3786865

IUPAC(2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate
SMILESCSc1ccccc1COC(=O)Nc1ccccc1C
InChIInChI=1S/C16H17NO2S/c1-12-7-3-5-9-14(12)17-16(18)19-11-13-8-4-6-10-15(13)20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyWAHIYHSQOFXQQM-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.47
Rot. Bonds4

About (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate

(2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate (PubChem CID 3786865) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate
PubChem CID3786865
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate
SMILESCSc1ccccc1COC(=O)Nc1ccccc1C
InChIInChI=1S/C16H17NO2S/c1-12-7-3-5-9-14(12)17-16(18)19-11-13-8-4-6-10-15(13)20-2/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyWAHIYHSQOFXQQM-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate?
The IUPAC name of (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate (CID 3786865) is (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate.
What is the SMILES notation for (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate?
The canonical SMILES for (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate is CSc1ccccc1COC(=O)Nc1ccccc1C.
What is the InChIKey of (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate?
The InChIKey is WAHIYHSQOFXQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-7-3-5-9-14(12)17-16(18)19-11-13-8-4-6-10-15(13)20-2/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate?
(2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate has a molecular weight of 287.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)methyl N-(2-methylphenyl)carbamate is sourced from PubChem (CID 3786865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).