4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide

C13H17NO3S — CID 2530381

IUPAC4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NC[C@H]1CCCO1
InChIInChI=1S/C13H17NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)/t10-/m1/s1
InChIKeyIQNDSCCNDCOPLV-SNVBAGLBSA-N
MW267.35 g/mol
LogP2.01
Rot. Bonds6

About 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 2530381) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID2530381
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NC[C@H]1CCCO1
InChIInChI=1S/C13H17NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)/t10-/m1/s1
InChIKeyIQNDSCCNDCOPLV-SNVBAGLBSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
CID 95591821
N-(oxolan-2-ylmethyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 47006892
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
N-(oxolan-2-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18102026
(E)-N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 896790
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
N-[[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 3669068
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide (CID 2530381) is 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NC[C@H]1CCCO1.
What is the InChIKey of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is IQNDSCCNDCOPLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-11(12-4-2-8-18-12)5-6-13(16)14-9-10-3-1-7-17-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)/t10-/m1/s1.
What are the key properties of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 267.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 2530381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).