N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

C17H19NO2S — CID 847678

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-7-9-15(10-8-13)21-12-17(19)18-11-14-5-3-4-6-16(14)20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyVFMLGHQLCPDUAP-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.41
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 847678) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID847678
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-7-9-15(10-8-13)21-12-17(19)18-11-14-5-3-4-6-16(14)20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyVFMLGHQLCPDUAP-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorobenzyl)thio]-N-(3-methoxybenzyl)propanamide
CID 5053730
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 7697711
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
N-cyclohexyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842497
N-(2-methoxybenzyl)-2-(phenylthio)acetamide
CID 881386
2,2,2-trifluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide
CID 44390714
N-[(3-methoxyphenyl)methyl]-4-phenylsulfanylbutanamide
CID 4788720
((2-Methoxyphenyl)methyl)((thiophen-2-yl)methyl)amine
CID 2115238
N-benzyl-2-methoxy-4-(methylsulfanyl)benzamide
CID 842265
[2-(4-Methoxy-phenyl)-ethyl]-(4-methylsulfanyl-benzyl)-amine
CID 1615655
3-methoxy-N-{2-[(4-methylphenyl)thio]ethyl}benzamide
CID 2264232
2-methoxy-4-(methylsulfanyl)-N-propylbenzamide
CID 2271058

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (CID 847678) is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is COc1ccccc1CNC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is VFMLGHQLCPDUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-7-9-15(10-8-13)21-12-17(19)18-11-14-5-3-4-6-16(14)20-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 3.41, 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-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 847678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).