[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

C18H23N3O5S — CID 33321852

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)cn1C
InChIInChI=1S/C18H23N3O5S/c1-5-13-8-6-7-12(2)17(13)20-16(22)11-26-18(23)15-9-14(10-21(15)4)27(24,25)19-3/h6-10,19H,5,11H2,1-4H3,(H,20,22)
InChIKeyANPOYFNQKDDXOW-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.60
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 33321852) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
PubChem CID33321852
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)cn1C
InChIInChI=1S/C18H23N3O5S/c1-5-13-8-6-7-12(2)17(13)20-16(22)11-26-18(23)15-9-14(10-21(15)4)27(24,25)19-3/h6-10,19H,5,11H2,1-4H3,(H,20,22)
InChIKeyANPOYFNQKDDXOW-UHFFFAOYSA-N
XLogP1.60
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
CID 33321158
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803868
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 55313549
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961607
[2-(2,6-dimethylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2409973
[2-(2,6-difluoroanilino)-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 26988206
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413506
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2636706
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170402

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate (CID 33321852) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate is CCc1cccc(C)c1NC(=O)COC(=O)c1cc(S(=O)(=O)NC)cn1C.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is ANPOYFNQKDDXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-5-13-8-6-7-12(2)17(13)20-16(22)11-26-18(23)15-9-14(10-21(15)4)27(24,25)19-3/h6-10,19H,5,11H2,1-4H3,(H,20,22).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 393.47 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 33321852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).