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

C17H22N2O4S — CID 53059244

IUPACethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2CC)c1C
InChIInChI=1S/C17H22N2O4S/c1-5-13-9-7-8-10-14(13)19-24(21,22)16-11(3)15(18-12(16)4)17(20)23-6-2/h7-10,18-19H,5-6H2,1-4H3
InChIKeyOWGDKJNOTQZEKV-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.17
Rot. Bonds6

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

ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (PubChem CID 53059244) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
PubChem CID53059244
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Nameethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2CC)c1C
InChIInChI=1S/C17H22N2O4S/c1-5-13-9-7-8-10-14(13)19-24(21,22)16-11(3)15(18-12(16)4)17(20)23-6-2/h7-10,18-19H,5-6H2,1-4H3
InChIKeyOWGDKJNOTQZEKV-UHFFFAOYSA-N
XLogP3.17
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,5-dimethyl-4-[(2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 53059260
ethyl 4-[(5-chloro-2-methylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059234
ethyl 4-[(4-acetylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059224
ethyl 4-[(2-ethylphenyl)carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 22515576
ethyl 3,5-dimethyl-4-(2-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53059285
ethyl 3,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
CID 53059225
ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53005280
ethyl 3,5-dimethyl-4-(pyridin-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 53005255
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 71848825
ethyl 4-(furan-2-ylmethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059249
ethyl 4-[(2-chlorophenyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923398
ethyl 4-(cyanomethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 81423317

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CID 53059244) is ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2CC)c1C.
What is the InChIKey of ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The InChIKey is OWGDKJNOTQZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-5-13-9-7-8-10-14(13)19-24(21,22)16-11(3)15(18-12(16)4)17(20)23-6-2/h7-10,18-19H,5-6H2,1-4H3.
What are the key properties of ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 53059244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).