N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide

C20H19N3O4S — CID 1076108

IUPACN-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC(=O)c1ccncc1
InChIInChI=1S/C20H19N3O4S/c1-14-5-3-4-6-17(14)23-28(25,26)16-7-8-18(19(13-16)27-2)22-20(24)15-9-11-21-12-10-15/h3-13,23H,1-2H3,(H,22,24)
InChIKeyYSMCLGFBPNOEAG-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.45
Rot. Bonds6

About N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide

N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 1076108) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
PubChem CID1076108
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC(=O)c1ccncc1
InChIInChI=1S/C20H19N3O4S/c1-14-5-3-4-6-17(14)23-28(25,26)16-7-8-18(19(13-16)27-2)22-20(24)15-9-11-21-12-10-15/h3-13,23H,1-2H3,(H,22,24)
InChIKeyYSMCLGFBPNOEAG-UHFFFAOYSA-N
XLogP3.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
Way-151693
CID 4368
N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CID 16215971
5-bromo-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4267343
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]pyridine-3-carboxamide
CID 3618549
N-[1-(2-Methoxy-phenylcarbamoyl)-2-pyridin-4-yl-vinyl]-benzamide
CID 5761053
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312
4-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70572703
3-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390930
3-[(4-ethoxyphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390939

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide (CID 1076108) is N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide is COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is YSMCLGFBPNOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-5-3-4-6-17(14)23-28(25,26)16-7-8-18(19(13-16)27-2)22-20(24)15-9-11-21-12-10-15/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide?
N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2-methylphenyl)sulfamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 1076108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).