(2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

C27H28N6O3S — CID 40665427

About (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide

(2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (PubChem CID 40665427) has the molecular formula C27H28N6O3S and a molecular weight of 516.63 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• PubChem CID: 40665427
• Molecular Formula: C27H28N6O3S
• Molecular Weight: 516.63 g/mol
• Exact Mass: 516.19
• IUPAC Name: (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1
• InChI: InChI=1S/C27H28N6O3S/c1-36-22-15-13-19(14-16-22)26-29-31-32(30-26)18-24(34)33(21-10-3-2-4-11-21)25(23-12-7-17-37-23)27(35)28-20-8-5-6-9-20/h2-4,7,10-17,20,25H,5-6,8-9,18H2,1H3,(H,28,35)/t25-/m1/s1
• InChIKey: KQDPCKWFNJBLBI-RUZDIDTESA-N
• XLogP: 4.24
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.63
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The IUPAC name of (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide (CID 40665427) is (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide.

What is the SMILES notation for (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The canonical SMILES for (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is COc1ccc(-c2nnn(CC(=O)N(c3ccccc3)[C@@H](C(=O)NC3CCCC3)c3cccs3)n2)cc1.

What is the InChIKey of (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

The InChIKey is KQDPCKWFNJBLBI-RUZDIDTESA-N. The full InChI is InChI=1S/C27H28N6O3S/c1-36-22-15-13-19(14-16-22)26-29-31-32(30-26)18-24(34)33(21-10-3-2-4-11-21)25(23-12-7-17-37-23)27(35)28-20-8-5-6-9-20/h2-4,7,10-17,20,25H,5-6,8-9,18H2,1H3,(H,28,35)/t25-/m1/s1.

What are the key properties of (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide?

(2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide has a molecular weight of 516.63 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-(N-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 40665427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).