N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C14H20N2O4S — CID 95983382

IUPACN'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)NC[C@H]1CCCO1)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-14(19,11-5-3-7-21-11)9-16-13(18)12(17)15-8-10-4-2-6-20-10/h3,5,7,10,19H,2,4,6,8-9H2,1H3,(H,15,17)(H,16,18)/t10-,14+/m1/s1
InChIKeyWZEZXATZZHFWJL-YGRLFVJLSA-N
MW312.39 g/mol
LogP0.37
Rot. Bonds5

About N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 95983382) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID95983382
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)NC[C@H]1CCCO1)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-14(19,11-5-3-7-21-11)9-16-13(18)12(17)15-8-10-4-2-6-20-10/h3,5,7,10,19H,2,4,6,8-9H2,1H3,(H,15,17)(H,16,18)/t10-,14+/m1/s1
InChIKeyWZEZXATZZHFWJL-YGRLFVJLSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
(E)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 6346464
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-morpholin-4-ylbenzamide
CID 71985097
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 27505935
N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylbenzamide
CID 7316196

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 95983382) is N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is C[C@](O)(CNC(=O)C(=O)NC[C@H]1CCCO1)c1cccs1.
What is the InChIKey of N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is WZEZXATZZHFWJL-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-14(19,11-5-3-7-21-11)9-16-13(18)12(17)15-8-10-4-2-6-20-10/h3,5,7,10,19H,2,4,6,8-9H2,1H3,(H,15,17)(H,16,18)/t10-,14+/m1/s1.
What are the key properties of N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 312.39 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 95983382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).