ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

C24H23ClN2O5S — CID 1335221

IUPACethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2OCC)c1C
InChIInChI=1S/C24H23ClN2O5S/c1-4-31-18-12-7-6-11-17(18)26-22(29)20-14(3)19(24(30)32-5-2)23(33-20)27-21(28)15-9-8-10-16(25)13-15/h6-13H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQNNGHCAOJFZCSI-UHFFFAOYSA-N
MW486.98 g/mol
LogP5.79
Rot. Bonds8

About ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (PubChem CID 1335221) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
PubChem CID1335221
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Nameethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2OCC)c1C
InChIInChI=1S/C24H23ClN2O5S/c1-4-31-18-12-7-6-11-17(18)26-22(29)20-14(3)19(24(30)32-5-2)23(33-20)27-21(28)15-9-8-10-16(25)13-15/h6-13H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyQNNGHCAOJFZCSI-UHFFFAOYSA-N
XLogP5.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.98
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1130816
methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(2-methylpropanoylamino)thiophene-3-carboxylate
CID 1131600
ethyl 2-benzamido-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 2170543
methyl 5-[(2-ethoxyphenyl)carbamoyl]-2-[(2-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1131172
methyl 2-[(3-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071062
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
methyl 2-(cyclopropanecarbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1130862
ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(3-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 26264996
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-4-methyl-2-[(3-methylbenzoyl)amino]thiophene-3-carboxylate
CID 3132453
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate (CID 1335221) is ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2OCC)c1C.
What is the InChIKey of ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
The InChIKey is QNNGHCAOJFZCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-4-31-18-12-7-6-11-17(18)26-22(29)20-14(3)19(24(30)32-5-2)23(33-20)27-21(28)15-9-8-10-16(25)13-15/h6-13H,4-5H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate?
ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate has a molecular weight of 486.98 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorobenzoyl)amino]-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1335221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).