ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate

C25H25ClN2O5S — CID 1239717

IUPACethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C
InChIInChI=1S/C25H25ClN2O5S/c1-5-33-25(31)21-15(3)22(23(30)27-17-9-6-14(2)19(26)13-17)34-24(21)28-20(29)12-16-7-10-18(32-4)11-8-16/h6-11,13H,5,12H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyYLEOSDUZCFNDTL-UHFFFAOYSA-N
MW501.00 g/mol
LogP5.64
Rot. Bonds8

About ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 1239717) has the molecular formula C25H25ClN2O5S and a molecular weight of 501.00 g/mol. Its IUPAC name is ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID1239717
Molecular FormulaC25H25ClN2O5S
Molecular Weight501.00 g/mol
Exact Mass500.12
IUPAC Nameethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C
InChIInChI=1S/C25H25ClN2O5S/c1-5-33-25(31)21-15(3)22(23(30)27-17-9-6-14(2)19(26)13-17)34-24(21)28-20(29)12-16-7-10-18(32-4)11-8-16/h6-11,13H,5,12H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyYLEOSDUZCFNDTL-UHFFFAOYSA-N
XLogP5.64
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.00
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

Methyl 2amino5[(3chloro4methylphenyl)carbamoyl]4methylthiophene3carboxylate (Inh 7)
CID 808903
N-(3-chlorophenyl)-2-{[(4-methoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4331005
Ethyl 2-amino-5-[(4-chlorophenyl)carbamoyl]-4-phenylthiophene-3-carboxylate
CID 168299243
Ethyl 5-[(4-chlorophenyl)carbamoyl]-2-[(2-cyanoacetyl)amino]-4-phenylthiophene-3-carboxylate
CID 168299708
Methyl 3-(3-chlorobenzamido)-5-(4-ethoxyphenyl)thiophene-2-carboxylate
CID 16012551
2-Amino-5-(4-methoxy-phenylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester
CID 742317
4-(2,4-Dichlorophenyl)-2-[(4-isobutoxybenzoyl)amino]-5-methyl-3-thiophenecarboxamide
CID 1763027
Methyl 2-(4-chloroanilino)-5-(4-methoxybenzoyl)-4-methyl-3-thiophenecarboxylate
CID 1820289
Methyl 5-(4-methoxybenzoyl)-4-methyl-2-(4-methylanilino)thiophene-3-carboxylate
CID 17752648
2-(4-Chloroanilino)-5-(4-methoxybenzoyl)-4-methylthiophene-3-carboxylic acid
CID 17752863
methyl 2-(4-chloroanilino)-5-[(E)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methylthiophene-3-carboxylate
CID 135627685
Ethyl 5-[(3-chloroanilino)carbonyl]-2-[(2-fluorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate
CID 1007194

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate (CID 1239717) is ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)Cc2ccc(OC)cc2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C.
What is the InChIKey of ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is YLEOSDUZCFNDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O5S/c1-5-33-25(31)21-15(3)22(23(30)27-17-9-6-14(2)19(26)13-17)34-24(21)28-20(29)12-16-7-10-18(32-4)11-8-16/h6-11,13H,5,12H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 501.00 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1239717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).