N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide

C19H21NO2S — CID 38906488

IUPACN-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-14-3-9-18(10-4-14)23-13-19(22)17-7-5-16(6-8-17)11-12-20-15(2)21/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyMNHPJEQGEUCOPX-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide

N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide (PubChem CID 38906488) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
PubChem CID38906488
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC NameN-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2S/c1-14-3-9-18(10-4-14)23-13-19(22)17-7-5-16(6-8-17)11-12-20-15(2)21/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyMNHPJEQGEUCOPX-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923
N-[2-(4-fluorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 977302
N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide
CID 33290464
2-(4-methylphenyl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 11449073
N-[2-[4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 17433213
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
N-[2-[4-(4-chlorophenyl)-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 5103790
N-[2-[4-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 135824704
N-[2-[4-(4-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 5108772

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide (CID 38906488) is N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide?
The InChIKey is MNHPJEQGEUCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-14-3-9-18(10-4-14)23-13-19(22)17-7-5-16(6-8-17)11-12-20-15(2)21/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide has a molecular weight of 327.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 38906488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).