2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone

C20H24N2O3S — CID 95873177

IUPAC2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2csc(C(C)=O)c2)[C@@H](C)C1
InChIInChI=1S/C20H24N2O3S/c1-14-12-21(17-6-4-5-7-18(17)25-3)8-9-22(14)20(24)11-16-10-19(15(2)23)26-13-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3/t14-/m0/s1
InChIKeyLSAHFZMCHWRZDQ-AWEZNQCLSA-N
MW372.49 g/mol
LogP3.24
Rot. Bonds5

About 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone

2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone (PubChem CID 95873177) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
PubChem CID95873177
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2csc(C(C)=O)c2)[C@@H](C)C1
InChIInChI=1S/C20H24N2O3S/c1-14-12-21(17-6-4-5-7-18(17)25-3)8-9-22(14)20(24)11-16-10-19(15(2)23)26-13-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3/t14-/m0/s1
InChIKeyLSAHFZMCHWRZDQ-AWEZNQCLSA-N
XLogP3.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 95870124
1-[3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 70732947
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70750081
[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
N-(2-ethylsulfanylethyl)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 121499519
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
1-[2-methyl-4-[6-(2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 83289350
5-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897591
5-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carbonyl]-3-methyl-1,3-benzoxazol-2-one
CID 95897590

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone (CID 95873177) is 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cc2csc(C(C)=O)c2)[C@@H](C)C1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone?
The InChIKey is LSAHFZMCHWRZDQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14-12-21(17-6-4-5-7-18(17)25-3)8-9-22(14)20(24)11-16-10-19(15(2)23)26-13-16/h4-7,10,13-14H,8-9,11-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone?
2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone has a molecular weight of 372.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 95873177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).