N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide

C24H23N7O4S — CID 3229773

About N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 3229773) has the molecular formula C24H23N7O4S and a molecular weight of 505.56 g/mol. Its IUPAC name is N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide
• PubChem CID: 3229773
• Molecular Formula: C24H23N7O4S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.15
• IUPAC Name: N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide
• SMILES: O=C(Cc1cccs1)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1
• InChI: InChI=1S/C24H23N7O4S/c32-21(15-19-3-2-14-36-19)25-18-7-5-17(6-8-18)23-26-28-31(27-23)16-22(33)29-9-11-30(12-10-29)24(34)20-4-1-13-35-20/h1-8,13-14H,9-12,15-16H2,(H,25,32)
• InChIKey: DRSDKRKVVYRTRS-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 126.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide (CID 3229773) is N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1.

What is the InChIKey of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide?

The InChIKey is DRSDKRKVVYRTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4S/c32-21(15-19-3-2-14-36-19)25-18-7-5-17(6-8-18)23-26-28-31(27-23)16-22(33)29-9-11-30(12-10-29)24(34)20-4-1-13-35-20/h1-8,13-14H,9-12,15-16H2,(H,25,32).

What are the key properties of N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide?

N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 505.56 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3229773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).