N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide

C16H17NO2S — CID 881386

IUPACN-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-19-15-10-6-5-7-13(15)11-17-16(18)12-20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyIVFWWYCRJNLKNB-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.10
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide

N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide (PubChem CID 881386) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
PubChem CID881386
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-19-15-10-6-5-7-13(15)11-17-16(18)12-20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyIVFWWYCRJNLKNB-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide (CID 881386) is N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide is COc1ccccc1CNC(=O)CSc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is IVFWWYCRJNLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-15-10-6-5-7-13(15)11-17-16(18)12-20-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 287.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 881386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).