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

C19H25N3O5S — CID 20938446

IUPACethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C19H25N3O5S/c1-5-14-8-7-9-15(10-14)22-16(23)11-20-28(25,26)18-13(4)21-12(3)17(18)19(24)27-6-2/h7-10,20-21H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyYHZSDVVDOOAYJP-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.29
Rot. Bonds8

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

ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 20938446) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID20938446
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Nameethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C19H25N3O5S/c1-5-14-8-7-9-15(10-14)22-16(23)11-20-28(25,26)18-13(4)21-12(3)17(18)19(24)27-6-2/h7-10,20-21H,5-6,11H2,1-4H3,(H,22,23)
InChIKeyYHZSDVVDOOAYJP-UHFFFAOYSA-N
XLogP2.29
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.29
H-Bond Donors ≤ 53
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-[4-(1H-benzimidazol-2-yl)anilino]-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938396
ethyl 2,5-dimethyl-4-[[2-[(2-methylquinolin-4-yl)amino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20938405
ethyl 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)-1H-pyrrole-3-carboxylate
CID 20923289
ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
CID 20938456
ethyl 4-[[2-(N,4-dimethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938458
N-(3-ethylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24536492
ethyl 4-[(3,4-difluorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938481
ethyl 4-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938503
ethyl 4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938423
ethyl 4-[(2-chlorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923398
ethyl 4-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938678

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (CID 20938446) is ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(CC)c1.
What is the InChIKey of ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is YHZSDVVDOOAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-5-14-8-7-9-15(10-14)22-16(23)11-20-28(25,26)18-13(4)21-12(3)17(18)19(24)27-6-2/h7-10,20-21H,5-6,11H2,1-4H3,(H,22,23).
What are the key properties of ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 407.49 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-ethylanilino)-2-oxoethyl]sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20938446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).