ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

C20H27N3O5S — CID 20938365

IUPACethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H27N3O5S/c1-7-28-20(25)18-14(4)21-15(5)19(18)29(26,27)23(6)11-17(24)22-16-10-12(2)8-9-13(16)3/h8-10,21H,7,11H2,1-6H3,(H,22,24)
InChIKeyRNFHFJISDCGMNC-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.68
Rot. Bonds7

About ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 20938365) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID20938365
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Nameethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H27N3O5S/c1-7-28-20(25)18-14(4)21-15(5)19(18)29(26,27)23(6)11-17(24)22-16-10-12(2)8-9-13(16)3/h8-10,21H,7,11H2,1-6H3,(H,22,24)
InChIKeyRNFHFJISDCGMNC-UHFFFAOYSA-N
XLogP2.68
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938434
ethyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938356
ethyl 4-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938678
N-(2,5-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40690990
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938458
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
N-(2,4-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 45373105
ethyl 4-[4-[(2,4-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938257
N-(2,5-dimethylphenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 998401
ethyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938386
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 100781042

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (CID 20938365) is ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is RNFHFJISDCGMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-7-28-20(25)18-14(4)21-15(5)19(18)29(26,27)23(6)11-17(24)22-16-10-12(2)8-9-13(16)3/h8-10,21H,7,11H2,1-6H3,(H,22,24).
What are the key properties of ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 421.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20938365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).