2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C19H23N3O2S — CID 43015996

IUPAC2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H23N3O2S/c1-2-15-6-3-4-7-16(15)20-14-18(23)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-8,13,20H,2,9-12,14H2,1H3
InChIKeyROARUIPFZRFDCZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 43015996) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID43015996
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H23N3O2S/c1-2-15-6-3-4-7-16(15)20-14-18(23)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-8,13,20H,2,9-12,14H2,1H3
InChIKeyROARUIPFZRFDCZ-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18096648
2-(3-chloro-2-propan-2-yloxyanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86972151
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-(4-chloro-2-methoxy-5-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 39964978
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9132808
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]benzamide
CID 41143724
3-(2-aminophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 120608216

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 43015996) is 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CCc1ccccc1NCC(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is ROARUIPFZRFDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-15-6-3-4-7-16(15)20-14-18(23)21-9-11-22(12-10-21)19(24)17-8-5-13-25-17/h3-8,13,20H,2,9-12,14H2,1H3.
What are the key properties of 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 357.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43015996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).