4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide

C21H21N3O4S — CID 2223146

IUPAC4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-24(29(26,27)20-9-7-19(28-2)8-10-20)18-5-3-17(4-6-18)21(25)23-15-16-11-13-22-14-12-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyQPIDPCPAXVQQNO-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.85
Rot. Bonds7

About 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide

4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 2223146) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID2223146
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-24(29(26,27)20-9-7-19(28-2)8-10-20)18-5-3-17(4-6-18)21(25)23-15-16-11-13-22-14-12-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyQPIDPCPAXVQQNO-UHFFFAOYSA-N
XLogP2.85
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-((4-Methoxyphenyl)sulfonyl)-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)acetamide
CID 9888590
Way-151693
CID 4368
N-(1-(4-Methoxyphenylsulfonyl)-2,3-dihydro-1H-indol-7-yl)isonicotinamide
CID 16215971
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2981499
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-5-[3-(trifluoromethyl)phenyl]benzamide
CID 44309330
6-(2-acetylphenoxy)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2112842
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 2710693
2-(4-Methoxy-3-methyl-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 2988175
N-(6-methoxy-3-pyridinyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2334703
4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carbonyl)-amino]-phenyl ester
CID 9977312

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide (CID 2223146) is 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is QPIDPCPAXVQQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-24(29(26,27)20-9-7-19(28-2)8-10-20)18-5-3-17(4-6-18)21(25)23-15-16-11-13-22-14-12-16/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide?
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 411.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 2223146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).