2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide

C21H20F2N4OS — CID 46053732

IUPAC2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3cccs3)CC2)nc1)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N4OS/c22-15-3-5-18(19(23)12-15)21(28)25-16-4-6-20(24-13-16)27-9-7-26(8-10-27)14-17-2-1-11-29-17/h1-6,11-13H,7-10,14H2,(H,25,28)
InChIKeyKYJYYCKTQBCTCM-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.00
Rot. Bonds5

About 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide

2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46053732) has the molecular formula C21H20F2N4OS and a molecular weight of 414.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46053732
Molecular FormulaC21H20F2N4OS
Molecular Weight414.48 g/mol
Exact Mass414.13
IUPAC Name2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3cccs3)CC2)nc1)c1ccc(F)cc1F
InChIInChI=1S/C21H20F2N4OS/c22-15-3-5-18(19(23)12-15)21(28)25-16-4-6-20(24-13-16)27-9-7-26(8-10-27)14-17-2-1-11-29-17/h1-6,11-13H,7-10,14H2,(H,25,28)
InChIKeyKYJYYCKTQBCTCM-UHFFFAOYSA-N
XLogP4.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide 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 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46053732) is 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(Cc3cccs3)CC2)nc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is KYJYYCKTQBCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4OS/c22-15-3-5-18(19(23)12-15)21(28)25-16-4-6-20(24-13-16)27-9-7-26(8-10-27)14-17-2-1-11-29-17/h1-6,11-13H,7-10,14H2,(H,25,28).
What are the key properties of 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 414.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46053732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).