2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide

C17H27N3O3S — CID 8926205

IUPAC2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CN(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C17H27N3O3S/c1-13(2)19-16(21)9-18-17(22)12-20(10-14-5-3-7-23-14)11-15-6-4-8-24-15/h4,6,8,13-14H,3,5,7,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyKZTAADGDIUGOFT-CQSZACIVSA-N
MW353.49 g/mol
LogP1.37
Rot. Bonds9

About 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide

2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 8926205) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide
PubChem CID8926205
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CN(Cc1cccs1)C[C@H]1CCCO1
InChIInChI=1S/C17H27N3O3S/c1-13(2)19-16(21)9-18-17(22)12-20(10-14-5-3-7-23-14)11-15-6-4-8-24-15/h4,6,8,13-14H,3,5,7,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-/m1/s1
InChIKeyKZTAADGDIUGOFT-CQSZACIVSA-N
XLogP1.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide (CID 8926205) is 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)CN(Cc1cccs1)C[C@H]1CCCO1.
What is the InChIKey of 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is KZTAADGDIUGOFT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)19-16(21)9-18-17(22)12-20(10-14-5-3-7-23-14)11-15-6-4-8-24-15/h4,6,8,13-14H,3,5,7,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 353.49 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8926205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).