N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide

C20H26N2OS — CID 8810074

IUPACN-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1ccc(SC)cc1
InChIInChI=1S/C20H26N2OS/c1-4-13-22(14-17-9-11-18(24-3)12-10-17)15-20(23)21-19-8-6-5-7-16(19)2/h5-12H,4,13-15H2,1-3H3,(H,21,23)
InChIKeyCPGQTQNENSVOMQ-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.57
Rot. Bonds8

About N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide

N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide (PubChem CID 8810074) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
PubChem CID8810074
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1ccc(SC)cc1
InChIInChI=1S/C20H26N2OS/c1-4-13-22(14-17-9-11-18(24-3)12-10-17)15-20(23)21-19-8-6-5-7-16(19)2/h5-12H,4,13-15H2,1-3H3,(H,21,23)
InChIKeyCPGQTQNENSVOMQ-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9039149
2-[butyl(naphthalen-2-ylmethyl)amino]-N-(2-methylphenyl)acetamide
CID 156786205
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
2-[(2-chloroquinolin-3-yl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 8810094
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78787950
2-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 112800275

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide (CID 8810074) is N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1ccc(SC)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide?
The InChIKey is CPGQTQNENSVOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-4-13-22(14-17-9-11-18(24-3)12-10-17)15-20(23)21-19-8-6-5-7-16(19)2/h5-12H,4,13-15H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide?
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide has a molecular weight of 342.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide is sourced from PubChem (CID 8810074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).