4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide

C26H29N3O4S — CID 37317926

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C26H29N3O4S/c1-18-5-4-6-25(20(18)3)28-34(31,32)23-10-7-21(8-11-23)26(30)27-24-12-9-22(17-19(24)2)29-13-15-33-16-14-29/h4-12,17,28H,13-16H2,1-3H3,(H,27,30)
InChIKeyBLBOMPMBWJESKL-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.50
Rot. Bonds6

About 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide

4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide (PubChem CID 37317926) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
PubChem CID37317926
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C26H29N3O4S/c1-18-5-4-6-25(20(18)3)28-34(31,32)23-10-7-21(8-11-23)26(30)27-24-12-9-22(17-19(24)2)29-13-15-33-16-14-29/h4-12,17,28H,13-16H2,1-3H3,(H,27,30)
InChIKeyBLBOMPMBWJESKL-UHFFFAOYSA-N
XLogP4.50
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-fluoro-2-methylphenyl)benzamide
CID 7908370
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
N-(2,3-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282361
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-(2,3-dimethylphenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331495
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
4-morpholin-4-yl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 21173992
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide (CID 37317926) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is BLBOMPMBWJESKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-18-5-4-6-25(20(18)3)28-34(31,32)23-10-7-21(8-11-23)26(30)27-24-12-9-22(17-19(24)2)29-13-15-33-16-14-29/h4-12,17,28H,13-16H2,1-3H3,(H,27,30).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 37317926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).