ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate

C14H19NO4S — CID 62761043

IUPACethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCCOC2)cc1C
InChIInChI=1S/C14H19NO4S/c1-3-19-14(17)12-9(2)7-11(20-12)15-13(16)10-5-4-6-18-8-10/h7,10H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyGLLSNBBMPFQDMB-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.60
Rot. Bonds4

About ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate

ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate (PubChem CID 62761043) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
PubChem CID62761043
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Nameethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCCOC2)cc1C
InChIInChI=1S/C14H19NO4S/c1-3-19-14(17)12-9(2)7-11(20-12)15-13(16)10-5-4-6-18-8-10/h7,10H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyGLLSNBBMPFQDMB-UHFFFAOYSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(cyclopropanecarbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate
CID 2373848
ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 60921466
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
ethyl 3-methyl-5-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 43424052
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
CID 47158600
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480
ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 16862892
[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 36684369
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2-carboxylate
CID 8000608
3-ethyl-5-(oxolane-3-carbonylamino)thiophene-2-carboxylic acid
CID 155957129
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 26901059

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate (CID 62761043) is ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CCCOC2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate?
The InChIKey is GLLSNBBMPFQDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-19-14(17)12-9(2)7-11(20-12)15-13(16)10-5-4-6-18-8-10/h7,10H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate?
ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 62761043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).