N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide

C25H32N6O4S — CID 3179913

About N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide

N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide (PubChem CID 3179913) has the molecular formula C25H32N6O4S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
• PubChem CID: 3179913
• Molecular Formula: C25H32N6O4S
• Molecular Weight: 512.64 g/mol
• Exact Mass: 512.22
• IUPAC Name: N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide
• SMILES: CCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
• InChI: InChI=1S/C25H32N6O4S/c1-4-20(25(33)26-18-8-5-6-9-18)30(15-19-10-7-13-36-19)23(32)16-31-28-24(27-29-31)17-11-12-21(34-2)22(14-17)35-3/h7,10-14,18,20H,4-6,8-9,15-16H2,1-3H3,(H,26,33)
• InChIKey: ONHQHVHFTPJGMR-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.64
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?

The IUPAC name of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide (CID 3179913) is N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide.

What is the SMILES notation for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?

The canonical SMILES for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1.

What is the InChIKey of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?

The InChIKey is ONHQHVHFTPJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4S/c1-4-20(25(33)26-18-8-5-6-9-18)30(15-19-10-7-13-36-19)23(32)16-31-28-24(27-29-31)17-11-12-21(34-2)22(14-17)35-3/h7,10-14,18,20H,4-6,8-9,15-16H2,1-3H3,(H,26,33).

What are the key properties of N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide?

N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide has a molecular weight of 512.64 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]butanamide is sourced from PubChem (CID 3179913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).