N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide

C27H25N3O4S — CID 168786153

IUPACN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ncccc2-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H25N3O4S/c1-18-9-7-10-19(2)25(18)30-35(32,33)24-17-21(14-15-23(24)34-3)29-27(31)26-22(13-8-16-28-26)20-11-5-4-6-12-20/h4-17,30H,1-3H3,(H,29,31)
InChIKeyJKFZQSXBGXFBKI-UHFFFAOYSA-N
MW487.58 g/mol
LogP5.43
Rot. Bonds7

About N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide (PubChem CID 168786153) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
PubChem CID168786153
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC NameN-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ncccc2-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H25N3O4S/c1-18-9-7-10-19(2)25(18)30-35(32,33)24-17-21(14-15-23(24)34-3)29-27(31)26-22(13-8-16-28-26)20-11-5-4-6-12-20/h4-17,30H,1-3H3,(H,29,31)
InChIKeyJKFZQSXBGXFBKI-UHFFFAOYSA-N
XLogP5.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]quinoline-6-carboxamide
CID 156859982
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 156859842
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
2-chloro-N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-5-(trifluoromethyl)pyridine-4-carboxamide
CID 168786238
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-methylphenyl)-1H-imidazole-5-carboxamide
CID 156860021
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
2-methoxy-5-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 8514631
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
N-[3-[(3-cyanophenyl)sulfamoyl]-4-methoxyphenyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 156859975
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 166748291

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide (CID 168786153) is N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide is COc1ccc(NC(=O)c2ncccc2-c2ccccc2)cc1S(=O)(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide?
The InChIKey is JKFZQSXBGXFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c1-18-9-7-10-19(2)25(18)30-35(32,33)24-17-21(14-15-23(24)34-3)29-27(31)26-22(13-8-16-28-26)20-11-5-4-6-12-20/h4-17,30H,1-3H3,(H,29,31).
What are the key properties of N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide?
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide is sourced from PubChem (CID 168786153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).