ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate

C19H25N3O5S — CID 46284020

IUPACethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cn1C
InChIInChI=1S/C19H25N3O5S/c1-6-27-19(24)17-10-16(11-21(17)4)28(25,26)22(5)12-18(23)20-15-8-7-13(2)14(3)9-15/h7-11H,6,12H2,1-5H3,(H,20,23)
InChIKeyWFPTVCJZVVKTED-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.08
Rot. Bonds7

About ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate

ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 46284020) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID46284020
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Nameethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cn1C
InChIInChI=1S/C19H25N3O5S/c1-6-27-19(24)17-10-16(11-21(17)4)28(25,26)22(5)12-18(23)20-15-8-7-13(2)14(3)9-15/h7-11H,6,12H2,1-5H3,(H,20,23)
InChIKeyWFPTVCJZVVKTED-UHFFFAOYSA-N
XLogP2.08
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-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

ethyl 1-methyl-4-[methyl-[2-(3-methylanilino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284046
ethyl 1-methyl-4-[methyl-[2-[3-(1,2-oxazol-5-yl)anilino]-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284051
methyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 46283934
ethyl 1-methyl-4-[methyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-2-carboxylate
CID 46284021
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
ethyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20930139
N-(3,4-dimethylphenyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 99818118
ethyl 4-[(2-methoxyphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 22515821
ethyl 4-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 2197414
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
ethyl 4-[[2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 45373125
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 46284020) is ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(C)c2)cn1C.
What is the InChIKey of ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is WFPTVCJZVVKTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-6-27-19(24)17-10-16(11-21(17)4)28(25,26)22(5)12-18(23)20-15-8-7-13(2)14(3)9-15/h7-11H,6,12H2,1-5H3,(H,20,23).
What are the key properties of ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate?
ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 46284020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).