N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide

C21H21N3O4S — CID 6458014

IUPACN-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C21H21N3O4S/c1-15-6-3-4-8-18(15)21(25)24-19-12-17(9-10-20(19)28-2)29(26,27)23-14-16-7-5-11-22-13-16/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeySKKRREUUPCABHW-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.13
Rot. Bonds7

About N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide

N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide (PubChem CID 6458014) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
PubChem CID6458014
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1C
InChIInChI=1S/C21H21N3O4S/c1-15-6-3-4-8-18(15)21(25)24-19-12-17(9-10-20(19)28-2)29(26,27)23-14-16-7-5-11-22-13-16/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeySKKRREUUPCABHW-UHFFFAOYSA-N
XLogP3.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide 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-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]propanamide
CID 27195572
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879
3-(5-hydroxy-3-pyridinyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 170510592
4-methoxy-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 2203728
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 6462073
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
5-(benzylsulfamoyl)-2-methyl-N-quinolin-5-ylbenzamide
CID 30287242
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide (CID 6458014) is N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide is COc1ccc(S(=O)(=O)NCc2cccnc2)cc1NC(=O)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide?
The InChIKey is SKKRREUUPCABHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-6-3-4-8-18(15)21(25)24-19-12-17(9-10-20(19)28-2)29(26,27)23-14-16-7-5-11-22-13-16/h3-13,23H,14H2,1-2H3,(H,24,25).
What are the key properties of N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide?
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide has a molecular weight of 411.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 6458014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).