4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

C22H23N3O4S — CID 55523190

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)ccn1
InChIInChI=1S/C22H23N3O4S/c1-15-5-4-6-20(16(15)2)25-30(27,28)19-9-7-18(8-10-19)22(26)24-14-17-11-12-23-21(13-17)29-3/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyCYFVZFPYFUNKSJ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.44
Rot. Bonds7

About 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (PubChem CID 55523190) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
PubChem CID55523190
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)ccn1
InChIInChI=1S/C22H23N3O4S/c1-15-5-4-6-20(16(15)2)25-30(27,28)19-9-7-18(8-10-19)22(26)24-14-17-11-12-23-21(13-17)29-3/h4-13,25H,14H2,1-3H3,(H,24,26)
InChIKeyCYFVZFPYFUNKSJ-UHFFFAOYSA-N
XLogP3.44
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-[(2-methoxy-4-pyridinyl)methyl]-3-methyl-4-nitrobenzamide
CID 18155533
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (CID 55523190) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)ccn1.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is CYFVZFPYFUNKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-15-5-4-6-20(16(15)2)25-30(27,28)19-9-7-18(8-10-19)22(26)24-14-17-11-12-23-21(13-17)29-3/h4-13,25H,14H2,1-3H3,(H,24,26).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 3.44, 7 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-methoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55523190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).