N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C17H23N3O4S — CID 51125129

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOc2cc(C)cc(C)c2)n(C)c1
InChIInChI=1S/C17H23N3O4S/c1-12-7-13(2)9-14(8-12)24-6-5-19-17(21)16-10-15(11-20(16)4)25(22,23)18-3/h7-11,18H,5-6H2,1-4H3,(H,19,21)
InChIKeyQKBMFVZQMFXXRR-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 51125129) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID51125129
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOc2cc(C)cc(C)c2)n(C)c1
InChIInChI=1S/C17H23N3O4S/c1-12-7-13(2)9-14(8-12)24-6-5-19-17(21)16-10-15(11-20(16)4)25(22,23)18-3/h7-11,18H,5-6H2,1-4H3,(H,19,21)
InChIKeyQKBMFVZQMFXXRR-UHFFFAOYSA-N
XLogP1.36
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55954561
2-hydroxy-4-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 107832704
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55742136
4-bromo-1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrole-2-carboxamide
CID 60698250
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
N-(2-methoxyethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 59268176
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55955665
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 37485309
4-(2-methoxyethoxysulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 82706005
(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 30063127

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 51125129) is N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCCOc2cc(C)cc(C)c2)n(C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is QKBMFVZQMFXXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-7-13(2)9-14(8-12)24-6-5-19-17(21)16-10-15(11-20(16)4)25(22,23)18-3/h7-11,18H,5-6H2,1-4H3,(H,19,21).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 51125129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).