ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

C25H24N2O6S — CID 994187

IUPACethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccccc3)c(C(=O)OCC)c2C)cc1
InChIInChI=1S/C25H24N2O6S/c1-4-32-24(30)17-11-13-18(14-12-17)26-22(29)20-15(3)19(25(31)33-5-2)23(34-20)27-21(28)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyUCTLICHRPCPTDZ-UHFFFAOYSA-N
MW480.54 g/mol
LogP4.91
Rot. Bonds8

About ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 994187) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID994187
Molecular FormulaC25H24N2O6S
Molecular Weight480.54 g/mol
Exact Mass480.14
IUPAC Nameethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccccc3)c(C(=O)OCC)c2C)cc1
InChIInChI=1S/C25H24N2O6S/c1-4-32-24(30)17-11-13-18(14-12-17)26-22(29)20-15(3)19(25(31)33-5-2)23(34-20)27-21(28)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyUCTLICHRPCPTDZ-UHFFFAOYSA-N
XLogP4.91
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-benzamido-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2167737
ethyl 2-[(4-chlorobenzoyl)amino]-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061630
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 2860504
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
ethyl 2-benzamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2170543
ethyl 2-benzamido-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061853
ethyl 2-[(2,6-dimethoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693937
ethyl 5-acetyl-4-methyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1376783
ethyl 5-[(4-fluorobenzoyl)amino]-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 1496173
ethyl 2-[(3-amino-4-propoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 110502894
ethyl 2-[(2-methoxybenzoyl)amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 994187) is ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is CCOC(=O)c1ccc(NC(=O)c2sc(NC(=O)c3ccccc3)c(C(=O)OCC)c2C)cc1.
What is the InChIKey of ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is UCTLICHRPCPTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-4-32-24(30)17-11-13-18(14-12-17)26-22(29)20-15(3)19(25(31)33-5-2)23(34-20)27-21(28)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 480.54 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-5-[(4-ethoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 994187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).