N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

C21H23N3O4S — CID 55471799

IUPACN-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C21H23N3O4S/c1-13-6-5-7-16(10-13)24-14(2)11-18(15(24)3)21(25)23-19-12-17(29(22,26)27)8-9-20(19)28-4/h5-12H,1-4H3,(H,23,25)(H2,22,26,27)
InChIKeyFMVGICBNDWPERL-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.31
Rot. Bonds5

About N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 55471799) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID55471799
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C21H23N3O4S/c1-13-6-5-7-16(10-13)24-14(2)11-18(15(24)3)21(25)23-19-12-17(29(22,26)27)8-9-20(19)28-4/h5-12H,1-4H3,(H,23,25)(H2,22,26,27)
InChIKeyFMVGICBNDWPERL-UHFFFAOYSA-N
XLogP3.31
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55929096
N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 29294399
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-methoxy-5-methylbenzamide
CID 9047184
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471494
N-(3-chloro-4-methoxyphenyl)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoacetamide
CID 22515506
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519
N-(2-methoxy-5-sulfamoylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 52567796

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 55471799) is N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is FMVGICBNDWPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-13-6-5-7-16(10-13)24-14(2)11-18(15(24)3)21(25)23-19-12-17(29(22,26)27)8-9-20(19)28-4/h5-12H,1-4H3,(H,23,25)(H2,22,26,27).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55471799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).