N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C21H26N2O4S — CID 93110151

About N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 93110151) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
• PubChem CID: 93110151
• Molecular Formula: C21H26N2O4S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.16
• IUPAC Name: N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
• SMILES: O=C(CN(C(=O)Cc1cccs1)C1CC1)N(Cc1ccco1)C[C@H]1CCCO1
• InChI: InChI=1S/C21H26N2O4S/c24-20(12-19-6-3-11-28-19)23(16-7-8-16)15-21(25)22(13-17-4-1-9-26-17)14-18-5-2-10-27-18/h1,3-4,6,9,11,16,18H,2,5,7-8,10,12-15H2/t18-/m1/s1
• InChIKey: DNXGTIZVMBGISE-GOSISDBHSA-N
• XLogP: 3.08
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 93110151) is N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is O=C(CN(C(=O)Cc1cccs1)C1CC1)N(Cc1ccco1)C[C@H]1CCCO1.

What is the InChIKey of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

The InChIKey is DNXGTIZVMBGISE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-20(12-19-6-3-11-28-19)23(16-7-8-16)15-21(25)22(13-17-4-1-9-26-17)14-18-5-2-10-27-18/h1,3-4,6,9,11,16,18H,2,5,7-8,10,12-15H2/t18-/m1/s1.

What are the key properties of N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide?

N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 402.52 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 93110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).