N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

C25H25FN6O2S — CID 3179193

IUPACN-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C25H25FN6O2S/c1-25(2,3)27-24(34)22(20-10-7-15-35-20)32(19-8-5-4-6-9-19)21(33)16-31-29-23(28-30-31)17-11-13-18(26)14-12-17/h4-15,22H,16H2,1-3H3,(H,27,34)
InChIKeyNZBKQWGVJARKOD-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.23
Rot. Bonds7

About N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 3179193) has the molecular formula C25H25FN6O2S and a molecular weight of 492.58 g/mol. Its IUPAC name is N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
PubChem CID3179193
Molecular FormulaC25H25FN6O2S
Molecular Weight492.58 g/mol
Exact Mass492.17
IUPAC NameN-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
SMILESCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C25H25FN6O2S/c1-25(2,3)27-24(34)22(20-10-7-15-35-20)32(19-8-5-4-6-9-19)21(33)16-31-29-23(28-30-31)17-11-13-18(26)14-12-17/h4-15,22H,16H2,1-3H3,(H,27,34)
InChIKeyNZBKQWGVJARKOD-UHFFFAOYSA-N
XLogP4.23
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide 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-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The IUPAC name of N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 3179193) is N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is CC(C)(C)NC(=O)C(c1cccs1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
The InChIKey is NZBKQWGVJARKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2S/c1-25(2,3)27-24(34)22(20-10-7-15-35-20)32(19-8-5-4-6-9-19)21(33)16-31-29-23(28-30-31)17-11-13-18(26)14-12-17/h4-15,22H,16H2,1-3H3,(H,27,34).
What are the key properties of N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?
N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 492.58 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3179193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).