N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide

C22H19FN6O2S2 — CID 24572540

IUPACN-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1nnnn1CCc1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H19FN6O2S2/c23-15-7-9-16(10-8-15)24-21(31)18-5-1-2-6-19(18)25-20(30)14-33-22-26-27-28-29(22)12-11-17-4-3-13-32-17/h1-10,13H,11-12,14H2,(H,24,31)(H,25,30)
InChIKeyPTBPTUDTIPVESQ-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.10
Rot. Bonds9

About N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide

N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide (PubChem CID 24572540) has the molecular formula C22H19FN6O2S2 and a molecular weight of 482.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
PubChem CID24572540
Molecular FormulaC22H19FN6O2S2
Molecular Weight482.57 g/mol
Exact Mass482.10
IUPAC NameN-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
SMILESO=C(CSc1nnnn1CCc1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H19FN6O2S2/c23-15-7-9-16(10-8-15)24-21(31)18-5-1-2-6-19(18)25-20(30)14-33-22-26-27-28-29(22)12-11-17-4-3-13-32-17/h1-10,13H,11-12,14H2,(H,24,31)(H,25,30)
InChIKeyPTBPTUDTIPVESQ-UHFFFAOYSA-N
XLogP4.10
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]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 N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide (CID 24572540) is N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide is O=C(CSc1nnnn1CCc1cccs1)Nc1ccccc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
The InChIKey is PTBPTUDTIPVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2S2/c23-15-7-9-16(10-8-15)24-21(31)18-5-1-2-6-19(18)25-20(30)14-33-22-26-27-28-29(22)12-11-17-4-3-13-32-17/h1-10,13H,11-12,14H2,(H,24,31)(H,25,30).
What are the key properties of N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide has a molecular weight of 482.57 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 24572540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).