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

C19H25N3O5S — CID 20938458

IUPACethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O5S/c1-6-27-19(24)17-13(3)21-14(4)18(17)28(25,26)20-11-16(23)22(5)15-9-7-12(2)8-10-15/h7-10,20-21H,6,11H2,1-5H3
InChIKeyYJESWILQXLDKEX-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.06
Rot. Bonds7

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

ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 20938458) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID20938458
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Nameethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N(C)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O5S/c1-6-27-19(24)17-13(3)21-14(4)18(17)28(25,26)20-11-16(23)22(5)15-9-7-12(2)8-10-15/h7-10,20-21H,6,11H2,1-5H3
InChIKeyYJESWILQXLDKEX-UHFFFAOYSA-N
XLogP2.06
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938446
ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20938456
ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938423
ethyl 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)-1H-pyrrole-3-carboxylate
CID 20923289
ethyl 4-[[2-[4-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938396
ethyl 2,5-dimethyl-4-[(4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20923345
ethyl 2,5-dimethyl-4-[[2-[(2-methylquinolin-4-yl)amino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20938405
ethyl 4-[(2-chlorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923398
ethyl 4-[(3,4-difluorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938481
ethyl 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938365
ethyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938356

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (CID 20938458) is ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N(C)c1ccc(C)cc1.
What is the InChIKey of ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is YJESWILQXLDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-6-27-19(24)17-13(3)21-14(4)18(17)28(25,26)20-11-16(23)22(5)15-9-7-12(2)8-10-15/h7-10,20-21H,6,11H2,1-5H3.
What are the key properties of ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20938458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).