diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

C18H17Cl2NO5S — CID 1115915

IUPACdiethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C
InChIInChI=1S/C18H17Cl2NO5S/c1-4-25-17(23)13-9(3)14(18(24)26-5-2)27-16(13)21-15(22)11-7-6-10(19)8-12(11)20/h6-8H,4-5H2,1-3H3,(H,21,22)
InChIKeyIDKHPBCXFAAGAY-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.97
Rot. Bonds6

About diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate

diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 1115915) has the molecular formula C18H17Cl2NO5S and a molecular weight of 430.31 g/mol. Its IUPAC name is diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID1115915
Molecular FormulaC18H17Cl2NO5S
Molecular Weight430.31 g/mol
Exact Mass429.02
IUPAC Namediethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C
InChIInChI=1S/C18H17Cl2NO5S/c1-4-25-17(23)13-9(3)14(18(24)26-5-2)27-16(13)21-15(22)11-7-6-10(19)8-12(11)20/h6-8H,4-5H2,1-3H3,(H,21,22)
InChIKeyIDKHPBCXFAAGAY-UHFFFAOYSA-N
XLogP4.97
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
ethyl 5-[(2,4-dichlorobenzoyl)amino]-4-[(3,4-dimethylphenyl)carbamoyl]-3-methylthiophene-2-carboxylate
CID 126118940
ethyl 5-(cyclohexylcarbamoyl)-2-[(2,4-dichlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4030518
ethyl 5-acetyl-2-[(2-chloro-4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 6465136
4-O-ethyl 2-O-methyl 5-[(5-bromo-2-chlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1327584
diethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 2787716
diethyl 5-[(4-chloro-2-methyl-5-sulfamoylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 163888027
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
diethyl 5-[(4-chlorophenyl)carbamoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 4564046
diethyl 5-[(2,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5052468
diethyl 5-[(3,4-difluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1227156
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1001341

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate (CID 1115915) is diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is IDKHPBCXFAAGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5S/c1-4-25-17(23)13-9(3)14(18(24)26-5-2)27-16(13)21-15(22)11-7-6-10(19)8-12(11)20/h6-8H,4-5H2,1-3H3,(H,21,22).
What are the key properties of diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 430.31 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 1115915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).