N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

C20H19N3O4S — CID 109060995

IUPACN-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-18-4-2-3-17(13-18)23-20(24)16-5-7-19(8-6-16)28(25,26)22-14-15-9-11-21-12-10-15/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyUAEIWLBSINKFIT-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.82
Rot. Bonds7

About N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide

N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109060995) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109060995
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)c1
InChIInChI=1S/C20H19N3O4S/c1-27-18-4-2-3-17(13-18)23-20(24)16-5-7-19(8-6-16)28(25,26)22-14-15-9-11-21-12-10-15/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyUAEIWLBSINKFIT-UHFFFAOYSA-N
XLogP2.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 109060325
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109060995) is N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is COc1cccc(NC(=O)c2ccc(S(=O)(=O)NCc3ccncc3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is UAEIWLBSINKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-18-4-2-3-17(13-18)23-20(24)16-5-7-19(8-6-16)28(25,26)22-14-15-9-11-21-12-10-15/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109060995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).