4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide

C13H17NO3S — CID 45170439

IUPAC4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide
SMILESCc1ccsc1CCNC(=O)C1COC(=O)C1C
InChIInChI=1S/C13H17NO3S/c1-8-4-6-18-11(8)3-5-14-12(15)10-7-17-13(16)9(10)2/h4,6,9-10H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyCKZSDWYUTIGIPU-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.52
Rot. Bonds4

About 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide

4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide (PubChem CID 45170439) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide
PubChem CID45170439
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide
SMILESCc1ccsc1CCNC(=O)C1COC(=O)C1C
InChIInChI=1S/C13H17NO3S/c1-8-4-6-18-11(8)3-5-14-12(15)10-7-17-13(16)9(10)2/h4,6,9-10H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyCKZSDWYUTIGIPU-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide
CID 71985779
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(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide
CID 164634951
Ethyl 4-oxo-4-((1-(thiophen-2-yl)propan-2-yl)amino)butanoate
CID 45554924
N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
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Methyl 4-oxo-4-[2-(4-thiophen-3-ylphenyl)propylamino]butanoate
CID 9862396
Tetrahydro-3-furoic acid (2-thiophen-3-yl-ethyl)-amide
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2-(2-methyl-1,3-dioxolan-2-yl)-N-[2-(2-thienyl)ethyl]butanamide
CID 68937247
methyl (3S,4R)-4-(4-methylthiophen-2-yl)-2-oxopyrrolidine-3-carboxylate
CID 122583066
(1S,6R)-6-[(3-methylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 36060902
(1S,6S)-6-[(3-methylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 36060908
(1R,6R)-6-[(3-methylthiophen-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 36060915

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide (CID 45170439) is 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide is Cc1ccsc1CCNC(=O)C1COC(=O)C1C.
What is the InChIKey of 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide?
The InChIKey is CKZSDWYUTIGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-8-4-6-18-11(8)3-5-14-12(15)10-7-17-13(16)9(10)2/h4,6,9-10H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide?
4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 45170439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).