N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide

C24H25ClN6O2S2 — CID 3179190

About N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide

N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide (PubChem CID 3179190) has the molecular formula C24H25ClN6O2S2 and a molecular weight of 529.09 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
• PubChem CID: 3179190
• Molecular Formula: C24H25ClN6O2S2
• Molecular Weight: 529.09 g/mol
• Exact Mass: 528.12
• IUPAC Name: N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide
• SMILES: CC(C)(C)NC(=O)C(c1cccs1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C24H25ClN6O2S2/c1-24(2,3)26-23(33)21(19-7-5-13-35-19)30(14-18-6-4-12-34-18)20(32)15-31-28-22(27-29-31)16-8-10-17(25)11-9-16/h4-13,21H,14-15H2,1-3H3,(H,26,33)
• InChIKey: XZADVXZUIWCOQU-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.09
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide?

The IUPAC name of N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide (CID 3179190) is N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide is CC(C)(C)NC(=O)C(c1cccs1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.

What is the InChIKey of N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide?

The InChIKey is XZADVXZUIWCOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2S2/c1-24(2,3)26-23(33)21(19-7-5-13-35-19)30(14-18-6-4-12-34-18)20(32)15-31-28-22(27-29-31)16-8-10-17(25)11-9-16/h4-13,21H,14-15H2,1-3H3,(H,26,33).

What are the key properties of N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide?

N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide has a molecular weight of 529.09 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3179190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).