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

C17H19NOS — CID 9104654

IUPACN-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1CNC(=O)CSc1ccccc1C
InChIInChI=1S/C17H19NOS/c1-13-7-3-5-9-15(13)11-18-17(19)12-20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHAWVOQKAEJNSNA-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.71
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 9104654) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID9104654
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1CNC(=O)CSc1ccccc1C
InChIInChI=1S/C17H19NOS/c1-13-7-3-5-9-15(13)11-18-17(19)12-20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyHAWVOQKAEJNSNA-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
2-(2-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9142848
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 35612850
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2-methylphenyl)methyl]acetamide
CID 8806653
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-(2-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618800
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
2-[1-(4-chlorophenyl)ethylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 60560991
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
2-(2-methylphenyl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483315
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide (CID 9104654) is N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1CNC(=O)CSc1ccccc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is HAWVOQKAEJNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-7-3-5-9-15(13)11-18-17(19)12-20-16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 9104654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).