2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone

C20H23NO2S2 — CID 74243874

IUPAC2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCC(Sc3ccc(C)cc3)CC2)cs1
InChIInChI=1S/C20H23NO2S2/c1-14-3-5-17(6-4-14)25-18-7-9-21(10-8-18)20(23)12-16-11-19(15(2)22)24-13-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeySRBWWYHCBVETSW-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.58
Rot. Bonds5

About 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone

2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone (PubChem CID 74243874) has the molecular formula C20H23NO2S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone
PubChem CID74243874
Molecular FormulaC20H23NO2S2
Molecular Weight373.54 g/mol
Exact Mass373.12
IUPAC Name2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCC(Sc3ccc(C)cc3)CC2)cs1
InChIInChI=1S/C20H23NO2S2/c1-14-3-5-17(6-4-14)25-18-7-9-21(10-8-18)20(23)12-16-11-19(15(2)22)24-13-16/h3-6,11,13,18H,7-10,12H2,1-2H3
InChIKeySRBWWYHCBVETSW-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetylthiophen-3-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 70744213
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CID 74247158
2-(5-acetylthiophen-3-yl)-1-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]ethanone
CID 70723093
2-(5-acetylthiophen-3-yl)-1-[3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 72896877
2-(5-acetylthiophen-3-yl)-1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]ethanone
CID 70735508
[(3R)-1-[2-(5-acetylthiophen-3-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125174451
2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 118782789
1-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-2-phenylethanone
CID 70780899
2-(5-acetylthiophen-3-yl)-1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 70766776
9-[2-(5-acetylthiophen-3-yl)acetyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one
CID 171910779
2-(5-acetylthiophen-3-yl)-1-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]ethanone
CID 118793205
3-[1-[2-(5-acetylthiophen-3-yl)acetyl]piperidin-3-yl]-N-cyclopropylpropanamide
CID 45186054

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone (CID 74243874) is 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone is CC(=O)c1cc(CC(=O)N2CCC(Sc3ccc(C)cc3)CC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone?
The InChIKey is SRBWWYHCBVETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S2/c1-14-3-5-17(6-4-14)25-18-7-9-21(10-8-18)20(23)12-16-11-19(15(2)22)24-13-16/h3-6,11,13,18H,7-10,12H2,1-2H3.
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone?
2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone has a molecular weight of 373.54 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]ethanone is sourced from PubChem (CID 74243874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).