diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate

C18H19NO5S — CID 979455

IUPACdiethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OCC)c1C
InChIInChI=1S/C18H19NO5S/c1-4-23-17(21)13-11(3)14(18(22)24-5-2)25-16(13)19-15(20)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,19,20)
InChIKeyKSMRWTHKPMYMQL-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.66
Rot. Bonds6

About diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate

diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate (PubChem CID 979455) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
PubChem CID979455
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Namediethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OCC)c1C
InChIInChI=1S/C18H19NO5S/c1-4-23-17(21)13-11(3)14(18(22)24-5-2)25-16(13)19-15(20)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,19,20)
InChIKeyKSMRWTHKPMYMQL-UHFFFAOYSA-N
XLogP3.66
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
diethyl 3-methyl-5-(pyridine-4-carbonylamino)thiophene-2,4-dicarboxylate
CID 1112428
ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 994187
ethyl 2-benzamido-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061853
ethyl 5-acetyl-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1376783
ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
ethyl 2-benzamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2170543
diethyl 5-[(2-benzoyloxyacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 2516867
diethyl 5-[[(1R)-1-benzamido-2-oxo-2-phenylethyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 27340022
diethyl 3-methyl-5-[(4-propoxybenzoyl)amino]thiophene-2,4-dicarboxylate
CID 23829170
ethyl 5-[(4-fluorobenzoyl)amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1496173
diethyl 5-[(3,4-difluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1227156

Frequently Asked Questions

What is the IUPAC name of diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate (CID 979455) is diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is KSMRWTHKPMYMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-4-23-17(21)13-11(3)14(18(22)24-5-2)25-16(13)19-15(20)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,19,20).
What are the key properties of diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 361.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 979455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).