N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

C22H24N4O4S — CID 55621126

IUPACN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-26(2)21-13-8-16(14-23-21)15-24-22(27)17-9-11-18(12-10-17)31(28,29)25-19-6-4-5-7-20(19)30-3/h4-14,25H,15H2,1-3H3,(H,24,27)
InChIKeyKUGCVBBCNOZPKR-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.89
Rot. Bonds8

About N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide

N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 55621126) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID55621126
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-26(2)21-13-8-16(14-23-21)15-24-22(27)17-9-11-18(12-10-17)31(28,29)25-19-6-4-5-7-20(19)30-3/h4-14,25H,15H2,1-3H3,(H,24,27)
InChIKeyKUGCVBBCNOZPKR-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]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55621100
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55620834
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30873016
N-[(3,5-difluorophenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 37391318
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30890199
4-[(2-methoxyphenyl)sulfamoyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55845079
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861048
4-[(2-methoxyphenyl)sulfamoyl]-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 30750492
4-[(2-methoxyphenyl)sulfamoyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832379
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 55621126) is N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1.
What is the InChIKey of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is KUGCVBBCNOZPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-26(2)21-13-8-16(14-23-21)15-24-22(27)17-9-11-18(12-10-17)31(28,29)25-19-6-4-5-7-20(19)30-3/h4-14,25H,15H2,1-3H3,(H,24,27).
What are the key properties of N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide?
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-[(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]-4-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55621126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).