N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

C21H24N4O3S2 — CID 78835129

IUPACN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C21H24N4O3S2/c1-14-16(9-10-17(22-14)20-7-6-12-29-20)21(26)23-18-13-15(30(27,28)25(4)5)8-11-19(18)24(2)3/h6-13H,1-5H3,(H,23,26)
InChIKeyRAZYGBRSQLSBAH-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide

N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 78835129) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
PubChem CID78835129
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC NameN-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(-c2cccs2)ccc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
InChIInChI=1S/C21H24N4O3S2/c1-14-16(9-10-17(22-14)20-7-6-12-29-20)21(26)23-18-13-15(30(27,28)25(4)5)8-11-19(18)24(2)3/h6-13H,1-5H3,(H,23,26)
InChIKeyRAZYGBRSQLSBAH-UHFFFAOYSA-N
XLogP3.69
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide (CID 78835129) is N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is RAZYGBRSQLSBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-14-16(9-10-17(22-14)20-7-6-12-29-20)21(26)23-18-13-15(30(27,28)25(4)5)8-11-19(18)24(2)3/h6-13H,1-5H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide?
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 78835129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).