(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

C17H24N2O3S — CID 124515209

IUPAC(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N
InChIInChI=1S/C17H24N2O3S/c1-11(22-10-12-6-5-7-21-12)16(20)19-13-8-15(17(2,3)4)23-14(13)9-18/h8,11-12H,5-7,10H2,1-4H3,(H,19,20)/t11-,12+/m0/s1
InChIKeyLOTYZYZYANVTOS-NWDGAFQWSA-N
MW336.46 g/mol
LogP3.44
Rot. Bonds5

About (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide

(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (PubChem CID 124515209) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
PubChem CID124515209
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N
InChIInChI=1S/C17H24N2O3S/c1-11(22-10-12-6-5-7-21-12)16(20)19-13-8-15(17(2,3)4)23-14(13)9-18/h8,11-12H,5-7,10H2,1-4H3,(H,19,20)/t11-,12+/m0/s1
InChIKeyLOTYZYZYANVTOS-NWDGAFQWSA-N
XLogP3.44
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 122159402
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 95977169
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-[3-(tert-butylsulfamoyl)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 48849651
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide (CID 124515209) is (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C(C)(C)C)sc1C#N.
What is the InChIKey of (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is LOTYZYZYANVTOS-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-11(22-10-12-6-5-7-21-12)16(20)19-13-8-15(17(2,3)4)23-14(13)9-18/h8,11-12H,5-7,10H2,1-4H3,(H,19,20)/t11-,12+/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide?
(2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 336.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-2-cyanothiophen-3-yl)-2-[[(2R)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 124515209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).