N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C24H25N3O3S — CID 55488324

IUPACN-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)cc1C
InChIInChI=1S/C24H25N3O3S/c1-17-5-12-23(14-18(17)2)31(29,30)26-21-8-6-20(7-9-21)24(28)27(22-10-11-22)16-19-4-3-13-25-15-19/h3-9,12-15,22,26H,10-11,16H2,1-2H3
InChIKeyBERPFSIUNWVWDQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.30
Rot. Bonds7

About N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55488324) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55488324
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)cc1C
InChIInChI=1S/C24H25N3O3S/c1-17-5-12-23(14-18(17)2)31(29,30)26-21-8-6-20(7-9-21)24(28)27(22-10-11-22)16-19-4-3-13-25-15-19/h3-9,12-15,22,26H,10-11,16H2,1-2H3
InChIKeyBERPFSIUNWVWDQ-UHFFFAOYSA-N
XLogP4.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl-[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 38371513
N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 38252606
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55993514
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 26426471
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86976183
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 55488324) is N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(Cc3cccnc3)C3CC3)cc2)cc1C.
What is the InChIKey of N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BERPFSIUNWVWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-17-5-12-23(14-18(17)2)31(29,30)26-21-8-6-20(7-9-21)24(28)27(22-10-11-22)16-19-4-3-13-25-15-19/h3-9,12-15,22,26H,10-11,16H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 435.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55488324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).