ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate

C15H19N3O4S — CID 25045668

IUPACethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)cn(NS(=O)(=O)c2ccc(C)cc2)c1N
InChIInChI=1S/C15H19N3O4S/c1-4-22-15(19)13-11(3)9-18(14(13)16)17-23(20,21)12-7-5-10(2)6-8-12/h5-9,17H,4,16H2,1-3H3
InChIKeyTZUXFRFNOHPETF-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate

ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate (PubChem CID 25045668) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate
PubChem CID25045668
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)cn(NS(=O)(=O)c2ccc(C)cc2)c1N
InChIInChI=1S/C15H19N3O4S/c1-4-22-15(19)13-11(3)9-18(14(13)16)17-23(20,21)12-7-5-10(2)6-8-12/h5-9,17H,4,16H2,1-3H3
InChIKeyTZUXFRFNOHPETF-UHFFFAOYSA-N
XLogP1.80
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-1-[(4-methylphenyl)sulfonylamino]triazole-4-carboxylate
CID 44603089
ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 5-[(4-chlorophenyl)methyl]-2-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate
CID 15329045
ethyl 4-[4-(carbamoylsulfamoyl)phenyl]benzoate
CID 110453940
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
ethyl 1-carbamoyl-2,4-dimethylpyrrole-3-carboxylate
CID 102414688
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate (CID 25045668) is ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate is CCOC(=O)c1c(C)cn(NS(=O)(=O)c2ccc(C)cc2)c1N.
What is the InChIKey of ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate?
The InChIKey is TZUXFRFNOHPETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-22-15(19)13-11(3)9-18(14(13)16)17-23(20,21)12-7-5-10(2)6-8-12/h5-9,17H,4,16H2,1-3H3.
What are the key properties of ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate?
ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-1-[(4-methylphenyl)sulfonylamino]pyrrole-3-carboxylate is sourced from PubChem (CID 25045668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).