5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide

C13H17ClN2O3S — CID 71851839

IUPAC5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
SMILESCC(C(=O)NCC1CCC(C(N)=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O3S/c1-7(10-4-5-11(14)20-10)13(18)16-6-8-2-3-9(19-8)12(15)17/h4-5,7-9H,2-3,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYWDAGAIBFGJKFT-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.65
Rot. Bonds5

About 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide

5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide (PubChem CID 71851839) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
PubChem CID71851839
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
SMILESCC(C(=O)NCC1CCC(C(N)=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C13H17ClN2O3S/c1-7(10-4-5-11(14)20-10)13(18)16-6-8-2-3-9(19-8)12(15)17/h4-5,7-9H,2-3,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYWDAGAIBFGJKFT-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119613918
N-[2-(aminomethyl)cyclohexyl]-2-(5-chlorothiophen-2-yl)propanamide
CID 119609976
N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-3-cyclopropylpropanoic acid
CID 120535867
(2S,6R)-4-[(2R)-2-(5-chlorothiophen-2-yl)propanoyl]-6-methylmorpholine-2-carboxamide
CID 97064861
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111825737
5-[[(2,5-dichlorophenyl)carbamoylamino]methyl]oxolane-2-carboxamide
CID 71919491

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide?
The IUPAC name of 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide (CID 71851839) is 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide?
The canonical SMILES for 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide is CC(C(=O)NCC1CCC(C(N)=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide?
The InChIKey is YWDAGAIBFGJKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-7(10-4-5-11(14)20-10)13(18)16-6-8-2-3-9(19-8)12(15)17/h4-5,7-9H,2-3,6H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide?
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 71851839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).