N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide

C20H19N3O3S2 — CID 4290143

IUPACN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H19N3O3S2/c1-23(16-9-4-3-5-10-16)28(25,26)17-11-6-8-15(14-17)22-19(24)18-12-7-13-21-20(18)27-2/h3-14H,1-2H3,(H,22,24)
InChIKeyXRUOJYBHGYBFHO-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.88
Rot. Bonds6

About N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 4290143) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID4290143
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H19N3O3S2/c1-23(16-9-4-3-5-10-16)28(25,26)17-11-6-8-15(14-17)22-19(24)18-12-7-13-21-20(18)27-2/h3-14H,1-2H3,(H,22,24)
InChIKeyXRUOJYBHGYBFHO-UHFFFAOYSA-N
XLogP3.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4043210
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 3985764
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 3988955
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 78889852
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide (CID 4290143) is N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is XRUOJYBHGYBFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-23(16-9-4-3-5-10-16)28(25,26)17-11-6-8-15(14-17)22-19(24)18-12-7-13-21-20(18)27-2/h3-14H,1-2H3,(H,22,24).
What are the key properties of N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4290143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).