N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide

C20H25N3O2S — CID 47073375

IUPACN-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(CCc2cccs2)CC1
InChIInChI=1S/C20H25N3O2S/c1-16(24)18-6-2-3-7-19(18)21-20(25)15-23-12-10-22(11-13-23)9-8-17-5-4-14-26-17/h2-7,14H,8-13,15H2,1H3,(H,21,25)
InChIKeyNBCZTDYQPPDSJU-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.75
Rot. Bonds7

About N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide (PubChem CID 47073375) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
PubChem CID47073375
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1CCN(CCc2cccs2)CC1
InChIInChI=1S/C20H25N3O2S/c1-16(24)18-6-2-3-7-19(18)21-20(25)15-23-12-10-22(11-13-23)9-8-17-5-4-14-26-17/h2-7,14H,8-13,15H2,1H3,(H,21,25)
InChIKeyNBCZTDYQPPDSJU-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47534873
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
N-(2-acetylphenyl)-2-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]acetamide
CID 122138586
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
N-(2-acetylphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512402
N-(2-acetylphenyl)-2-[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetamide
CID 30704709
N-(2-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide
CID 9391097
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide (CID 47073375) is N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)CN1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is NBCZTDYQPPDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16(24)18-6-2-3-7-19(18)21-20(25)15-23-12-10-22(11-13-23)9-8-17-5-4-14-26-17/h2-7,14H,8-13,15H2,1H3,(H,21,25).
What are the key properties of N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide?
N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 47073375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).