N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

C18H19ClFN3O2S — CID 9206022

IUPACN-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1cccs1
InChIInChI=1S/C18H19ClFN3O2S/c19-14-3-1-4-15(20)13(14)12-22-6-8-23(9-7-22)17(24)11-21-18(25)16-5-2-10-26-16/h1-5,10H,6-9,11-12H2,(H,21,25)
InChIKeyXIQYTMQZZRTVMT-UHFFFAOYSA-N
MW395.89 g/mol
LogP2.61
Rot. Bonds5

About N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9206022) has the molecular formula C18H19ClFN3O2S and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9206022
Molecular FormulaC18H19ClFN3O2S
Molecular Weight395.89 g/mol
Exact Mass395.09
IUPAC NameN-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1cccs1
InChIInChI=1S/C18H19ClFN3O2S/c19-14-3-1-4-15(20)13(14)12-22-6-8-23(9-7-22)17(24)11-21-18(25)16-5-2-10-26-16/h1-5,10H,6-9,11-12H2,(H,21,25)
InChIKeyXIQYTMQZZRTVMT-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide (CID 9206022) is N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XIQYTMQZZRTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2S/c19-14-3-1-4-15(20)13(14)12-22-6-8-23(9-7-22)17(24)11-21-18(25)16-5-2-10-26-16/h1-5,10H,6-9,11-12H2,(H,21,25).
What are the key properties of N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9206022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).