methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate

C18H18Cl2N2O4S — CID 55822669

IUPACmethyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)OC)s1
InChIInChI=1S/C18H18Cl2N2O4S/c1-3-8-22(17(24)14-6-7-15(27-14)18(25)26-2)10-16(23)21-13-5-4-11(19)9-12(13)20/h4-7,9H,3,8,10H2,1-2H3,(H,21,23)
InChIKeyPQXYEOUJJDBMCB-UHFFFAOYSA-N
MW429.33 g/mol
LogP4.33
Rot. Bonds7

About methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate

methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate (PubChem CID 55822669) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
PubChem CID55822669
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Namemethyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)OC)s1
InChIInChI=1S/C18H18Cl2N2O4S/c1-3-8-22(17(24)14-6-7-15(27-14)18(25)26-2)10-16(23)21-13-5-4-11(19)9-12(13)20/h4-7,9H,3,8,10H2,1-2H3,(H,21,23)
InChIKeyPQXYEOUJJDBMCB-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
CID 60521050
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-methyl-N-propylfuran-3-carboxamide
CID 31185450
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2,4-dimethyl-N-propylbenzamide
CID 52892887
(2S)-2-amino-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylpropanamide
CID 119267913
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
3-(2,4-dichlorophenyl)-1,1-dipropylurea
CID 3499106
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propylacetamide
CID 31185288
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55787026
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate (CID 55822669) is methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate is CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C(=O)OC)s1.
What is the InChIKey of methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate?
The InChIKey is PQXYEOUJJDBMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-3-8-22(17(24)14-6-7-15(27-14)18(25)26-2)10-16(23)21-13-5-4-11(19)9-12(13)20/h4-7,9H,3,8,10H2,1-2H3,(H,21,23).
What are the key properties of methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate?
methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate has a molecular weight of 429.33 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 55822669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).