N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C14H16N4O4S — CID 29374337

IUPACN-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)n(C)c1
InChIInChI=1S/C14H16N4O4S/c1-16-23(21,22)11-7-12(18(2)8-11)14(20)17-10-5-3-9(4-6-10)13(15)19/h3-8,16H,1-2H3,(H2,15,19)(H,17,20)
InChIKeyQIIJUVCWDHQKSP-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.28
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 29374337) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID29374337
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)n(C)c1
InChIInChI=1S/C14H16N4O4S/c1-16-23(21,22)11-7-12(18(2)8-11)14(20)17-10-5-3-9(4-6-10)13(15)19/h3-8,16H,1-2H3,(H2,15,19)(H,17,20)
InChIKeyQIIJUVCWDHQKSP-UHFFFAOYSA-N
XLogP0.28
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
1-methyl-2-N-[4-(methylcarbamoyl)phenyl]pyrrole-2,4-dicarboxamide
CID 136513814
4-(methylsulfamoyl)benzamide
CID 43241290
1-methyl-4-(methylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 36916717
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
(2S)-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 30063127
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
(2S,3R)-3-hydroxy-2-[[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 104965020

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 29374337) is N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)n(C)c1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is QIIJUVCWDHQKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-16-23(21,22)11-7-12(18(2)8-11)14(20)17-10-5-3-9(4-6-10)13(15)19/h3-8,16H,1-2H3,(H2,15,19)(H,17,20).
What are the key properties of N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 29374337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).