ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate

C10H13NO4S — CID 43623989

IUPACethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)OC)cc1C
InChIInChI=1S/C10H13NO4S/c1-4-15-9(12)8-6(2)5-7(16-8)11-10(13)14-3/h5H,4H2,1-3H3,(H,11,13)
InChIKeyVSTRULJKGSBKLW-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.41
Rot. Bonds3

About ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate

ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 43623989) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID43623989
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Nameethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)OC)cc1C
InChIInChI=1S/C10H13NO4S/c1-4-15-9(12)8-6(2)5-7(16-8)11-10(13)14-3/h5H,4H2,1-3H3,(H,11,13)
InChIKeyVSTRULJKGSBKLW-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
ethyl 3-methyl-5-(propan-2-ylcarbamothioylamino)thiophene-2-carboxylate
CID 8000608
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 5-(hexanoylamino)-3-methylthiophene-2-carboxylate
CID 43403931
ethyl 5-(cyclopropanecarbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate
CID 2373848
ethyl 5-(ethylsulfonylamino)-3-methylthiophene-2-carboxylate
CID 43406404
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
ethyl 5-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 24569681
ethyl 5-[(5-chlorofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406103
ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
CID 43406104
ethyl 5-[(3,4-dimethylphenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate
CID 2400615

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate (CID 43623989) is ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)OC)cc1C.
What is the InChIKey of ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is VSTRULJKGSBKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-4-15-9(12)8-6(2)5-7(16-8)11-10(13)14-3/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 243.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 43623989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).