N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide

C21H21N3O4S — CID 155492228

IUPACN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1
InChIInChI=1S/C21H21N3O4S/c1-13-14(2)23-20(12-17(13)15-7-5-4-6-8-15)24-21(25)18-11-16(29(22,26)27)9-10-19(18)28-3/h4-12H,1-3H3,(H2,22,26,27)(H,23,24,25)
InChIKeyGUVBNPICXQSRJX-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.27
Rot. Bonds5

About N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide

N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide (PubChem CID 155492228) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide
PubChem CID155492228
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1
InChIInChI=1S/C21H21N3O4S/c1-13-14(2)23-20(12-17(13)15-7-5-4-6-8-15)24-21(25)18-11-16(29(22,26)27)9-10-19(18)28-3/h4-12H,1-3H3,(H2,22,26,27)(H,23,24,25)
InChIKeyGUVBNPICXQSRJX-UHFFFAOYSA-N
XLogP3.27
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide 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-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282
4-methoxy-3-[(N-methylanilino)carbamoyl]benzenesulfonamide
CID 9479972
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide
CID 43018416
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide (CID 155492228) is N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(-c2ccccc2)c(C)c(C)n1.
What is the InChIKey of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is GUVBNPICXQSRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-13-14(2)23-20(12-17(13)15-7-5-4-6-8-15)24-21(25)18-11-16(29(22,26)27)9-10-19(18)28-3/h4-12H,1-3H3,(H2,22,26,27)(H,23,24,25).
What are the key properties of N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide?
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 411.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 155492228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).