N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide

C16H17NO2S2 — CID 8954149

IUPACN-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C16H17NO2S2/c1-10-8-15(11(2)21-10)16(19)9-20-14-6-4-13(5-7-14)17-12(3)18/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyCAVPDAUOOHTEND-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.30
Rot. Bonds5

About N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 8954149) has the molecular formula C16H17NO2S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID8954149
Molecular FormulaC16H17NO2S2
Molecular Weight319.45 g/mol
Exact Mass319.07
IUPAC NameN-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C16H17NO2S2/c1-10-8-15(11(2)21-10)16(19)9-20-14-6-4-13(5-7-14)17-12(3)18/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyCAVPDAUOOHTEND-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
N-[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2423353
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 55021453
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
1-(2,5-dimethylthiophen-3-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone
CID 8952075
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 9382977

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide (CID 8954149) is N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SCC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is CAVPDAUOOHTEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S2/c1-10-8-15(11(2)21-10)16(19)9-20-14-6-4-13(5-7-14)17-12(3)18/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 8954149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).