N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

C20H19ClF3N5O2S — CID 4843226

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19ClF3N5O2S/c21-16-2-1-14(9-15(16)20(22,23)24)26-17(30)11-28-4-6-29(7-5-28)12-18(31)27-19-13(10-25)3-8-32-19/h1-3,8-9H,4-7,11-12H2,(H,26,30)(H,27,31)
InChIKeyUZTXLUCVZMXXHE-UHFFFAOYSA-N
MW485.92 g/mol
LogP3.49
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 4843226) has the molecular formula C20H19ClF3N5O2S and a molecular weight of 485.92 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID4843226
Molecular FormulaC20H19ClF3N5O2S
Molecular Weight485.92 g/mol
Exact Mass485.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESN#Cc1ccsc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19ClF3N5O2S/c21-16-2-1-14(9-15(16)20(22,23)24)26-17(30)11-28-4-6-29(7-5-28)12-18(31)27-19-13(10-25)3-8-32-19/h1-3,8-9H,4-7,11-12H2,(H,26,30)(H,27,31)
InChIKeyUZTXLUCVZMXXHE-UHFFFAOYSA-N
XLogP3.49
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide 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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 4843226) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is N#Cc1ccsc1NC(=O)CN1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is UZTXLUCVZMXXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2S/c21-16-2-1-14(9-15(16)20(22,23)24)26-17(30)11-28-4-6-29(7-5-28)12-18(31)27-19-13(10-25)3-8-32-19/h1-3,8-9H,4-7,11-12H2,(H,26,30)(H,27,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 485.92 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 4843226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).