N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C19H22ClN3O2S — CID 55364689

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S/c20-16-5-3-15(4-6-16)7-8-21-18(24)14-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7-12,14H2,(H,21,24)
InChIKeyLKDDVXRFROBYMV-UHFFFAOYSA-N
MW391.92 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 55364689) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID55364689
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccs2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S/c20-16-5-3-15(4-6-16)7-8-21-18(24)14-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7-12,14H2,(H,21,24)
InChIKeyLKDDVXRFROBYMV-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55551039
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-(2,4-dichlorophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 17491103
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8631119
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 4744215
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
tert-butyl 4-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 78903590
N-[(4-chlorophenyl)methyl]-4-(2-oxo-2-thiophen-2-ylethyl)piperazine-1-carboxamide;oxalic acid
CID 71780800

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 55364689) is N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccs2)CC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is LKDDVXRFROBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-16-5-3-15(4-6-16)7-8-21-18(24)14-22-9-11-23(12-10-22)19(25)17-2-1-13-26-17/h1-6,13H,7-12,14H2,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55364689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).