4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide

C23H25N3O3S — CID 7153842

IUPAC4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)n1
InChIInChI=1S/C23H25N3O3S/c1-17(2)26(16-19-9-5-4-6-10-19)30(28,29)21-14-12-20(13-15-21)23(27)25-22-11-7-8-18(3)24-22/h4-15,17H,16H2,1-3H3,(H,24,25,27)
InChIKeyDBIPZZHHTCBNKE-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.24
Rot. Bonds7

About 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide

4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 7153842) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID7153842
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)n1
InChIInChI=1S/C23H25N3O3S/c1-17(2)26(16-19-9-5-4-6-10-19)30(28,29)21-14-12-20(13-15-21)23(27)25-22-11-7-8-18(3)24-22/h4-15,17H,16H2,1-3H3,(H,24,25,27)
InChIKeyDBIPZZHHTCBNKE-UHFFFAOYSA-N
XLogP4.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(ethyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 18558936
4-[benzyl(propan-2-yl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 16833704
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methylphenyl)benzamide
CID 7189729
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147450
4-[benzyl(propan-2-yl)sulfamoyl]-N-(3-chlorophenyl)benzamide
CID 16833688
4-[benzyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 109057880
4-[benzyl(propan-2-yl)sulfamoyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 16833533
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 43947094
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-[benzyl(propan-2-yl)sulfamoyl]-N-[3-[2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 43947043
ethyl 2-[[4-[benzyl(propan-2-yl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16833611
4-[benzyl(propan-2-yl)sulfamoyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41235075

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide (CID 7153842) is 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(Cc3ccccc3)C(C)C)cc2)n1.
What is the InChIKey of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is DBIPZZHHTCBNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17(2)26(16-19-9-5-4-6-10-19)30(28,29)21-14-12-20(13-15-21)23(27)25-22-11-7-8-18(3)24-22/h4-15,17H,16H2,1-3H3,(H,24,25,27).
What are the key properties of 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide?
4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 7153842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).