(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide

C29H32N6O4 — CID 25448048

About (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide

(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide (PubChem CID 25448048) has the molecular formula C29H32N6O4 and a molecular weight of 528.61 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

Molecular Properties

• Compound Name: (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• PubChem CID: 25448048
• Molecular Formula: C29H32N6O4
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.25
• IUPAC Name: (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide
• SMILES: COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1
• InChI: InChI=1S/C29H32N6O4/c1-20-9-13-22(14-10-20)28-31-33-35(32-28)19-26(36)34(18-21-11-15-24(38-2)16-12-21)27(25-8-5-17-39-25)29(37)30-23-6-3-4-7-23/h5,8-17,23,27H,3-4,6-7,18-19H2,1-2H3,(H,30,37)/t27-/m0/s1
• InChIKey: MOMRTFSJHBEQJH-MHZLTWQESA-N
• XLogP: 4.08
• TPSA: 115.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

The IUPAC name of (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide (CID 25448048) is (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide.

What is the SMILES notation for (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

The canonical SMILES for (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide is COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1.

What is the InChIKey of (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

The InChIKey is MOMRTFSJHBEQJH-MHZLTWQESA-N. The full InChI is InChI=1S/C29H32N6O4/c1-20-9-13-22(14-10-20)28-31-33-35(32-28)19-26(36)34(18-21-11-15-24(38-2)16-12-21)27(25-8-5-17-39-25)29(37)30-23-6-3-4-7-23/h5,8-17,23,27H,3-4,6-7,18-19H2,1-2H3,(H,30,37)/t27-/m0/s1.

What are the key properties of (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide?

(2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide has a molecular weight of 528.61 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-cyclopentyl-2-(furan-2-yl)-2-[(4-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide is sourced from PubChem (CID 25448048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).