N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C22H24N4O4S — CID 55621100

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C22H24N4O4S/c1-26(2)21-12-11-16(14-23-21)15-24-22(27)17-7-6-8-18(13-17)31(28,29)25-19-9-4-5-10-20(19)30-3/h4-14,25H,15H2,1-3H3,(H,24,27)
InChIKeyQQCHKQOXTBHNOO-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.89
Rot. Bonds8

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55621100) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55621100
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C22H24N4O4S/c1-26(2)21-12-11-16(14-23-21)15-24-22(27)17-7-6-8-18(13-17)31(28,29)25-19-9-4-5-10-20(19)30-3/h4-14,25H,15H2,1-3H3,(H,24,27)
InChIKeyQQCHKQOXTBHNOO-UHFFFAOYSA-N
XLogP2.89
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621126
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 55621279
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42917067
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-[1-(ethylcarbamoyl)cyclohexyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55968811
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55720773
N-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55638323

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 55621100) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)nc2)c1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is QQCHKQOXTBHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-26(2)21-12-11-16(14-23-21)15-24-22(27)17-7-6-8-18(13-17)31(28,29)25-19-9-4-5-10-20(19)30-3/h4-14,25H,15H2,1-3H3,(H,24,27).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 440.53 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55621100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).