methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate

C23H20Cl2N2O5S — CID 17061949

IUPACmethyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccccc2C)sc(C(=O)Nc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C23H20Cl2N2O5S/c1-12-7-4-5-10-16(12)32-11-17(28)27-22-18(23(30)31-3)13(2)20(33-22)21(29)26-15-9-6-8-14(24)19(15)25/h4-10H,11H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJHQWXSFETKMAKW-UHFFFAOYSA-N
MW507.40 g/mol
LogP5.73
Rot. Bonds7

About methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate

methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate (PubChem CID 17061949) has the molecular formula C23H20Cl2N2O5S and a molecular weight of 507.40 g/mol. Its IUPAC name is methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
PubChem CID17061949
Molecular FormulaC23H20Cl2N2O5S
Molecular Weight507.40 g/mol
Exact Mass506.05
IUPAC Namemethyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)COc2ccccc2C)sc(C(=O)Nc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C23H20Cl2N2O5S/c1-12-7-4-5-10-16(12)32-11-17(28)27-22-18(23(30)31-3)13(2)20(33-22)21(29)26-15-9-6-8-14(24)19(15)25/h4-10H,11H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyJHQWXSFETKMAKW-UHFFFAOYSA-N
XLogP5.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.40
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(2-chlorophenyl)carbamoyl]-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 3141663
methyl 2-benzamido-5-[(2,3-dichlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17061110
methyl 5-[(2,3-dimethylphenyl)carbamoyl]-4-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 1130870
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071063
ethyl 5-[(2-fluorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 1335158
methyl 2-acetamido-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1129121
ethyl 4-methyl-5-[(2-methylphenyl)carbamoyl]-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
CID 3859687
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131038
ethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 28693999
methyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1071074
ethyl 5-[(2-methoxyphenyl)carbamoyl]-4-methyl-2-[(2-phenoxyacetyl)amino]thiophene-3-carboxylate
CID 1038818
dimethyl 5-[[2-(2-formylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 7762726

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate (CID 17061949) is methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)COc2ccccc2C)sc(C(=O)Nc2cccc(Cl)c2Cl)c1C.
What is the InChIKey of methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is JHQWXSFETKMAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O5S/c1-12-7-4-5-10-16(12)32-11-17(28)27-22-18(23(30)31-3)13(2)20(33-22)21(29)26-15-9-6-8-14(24)19(15)25/h4-10H,11H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate?
methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 507.40 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,3-dichlorophenyl)carbamoyl]-4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 17061949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).