N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide

C22H23N3O4S — CID 5110304

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cc(C)c(NC(=O)c3cccnc3)c2C)cc1
InChIInChI=1S/C22H23N3O4S/c1-14-12-15(2)21(30(27,28)25-18-7-9-19(29-4)10-8-18)16(3)20(14)24-22(26)17-6-5-11-23-13-17/h5-13,25H,1-4H3,(H,24,26)
InChIKeyUKGMBQGLWHOBEO-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.07
Rot. Bonds6

About N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide

N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide (PubChem CID 5110304) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide
PubChem CID5110304
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cc(C)c(NC(=O)c3cccnc3)c2C)cc1
InChIInChI=1S/C22H23N3O4S/c1-14-12-15(2)21(30(27,28)25-18-7-9-19(29-4)10-8-18)16(3)20(14)24-22(26)17-6-5-11-23-13-17/h5-13,25H,1-4H3,(H,24,26)
InChIKeyUKGMBQGLWHOBEO-UHFFFAOYSA-N
XLogP4.07
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide (CID 5110304) is N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide is COc1ccc(NS(=O)(=O)c2c(C)cc(C)c(NC(=O)c3cccnc3)c2C)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide?
The InChIKey is UKGMBQGLWHOBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14-12-15(2)21(30(27,28)25-18-7-9-19(29-4)10-8-18)16(3)20(14)24-22(26)17-6-5-11-23-13-17/h5-13,25H,1-4H3,(H,24,26).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 5110304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).