N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C25H28N2O3S — CID 132670901

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C25H28N2O3S/c1-5-23(21-15-12-18(3)16-19(21)4)26-25(28)22-8-6-7-9-24(22)27-31(29,30)20-13-10-17(2)11-14-20/h6-16,23,27H,5H2,1-4H3,(H,26,28)
InChIKeyXTCXUDRZLJPGDN-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.29
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 132670901) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID132670901
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C25H28N2O3S/c1-5-23(21-15-12-18(3)16-19(21)4)26-25(28)22-8-6-7-9-24(22)27-31(29,30)20-13-10-17(2)11-14-20/h6-16,23,27H,5H2,1-4H3,(H,26,28)
InChIKeyXTCXUDRZLJPGDN-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892085
N-[1-(2,4-dimethylphenyl)propyl]-2-propan-2-ylsulfanylbenzamide
CID 132652311
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161197
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 92672317
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 99932630
N-[1-(2,4-dimethylphenyl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 132658877

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 132670901) is N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is CCC(NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is XTCXUDRZLJPGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-5-23(21-15-12-18(3)16-19(21)4)26-25(28)22-8-6-7-9-24(22)27-31(29,30)20-13-10-17(2)11-14-20/h6-16,23,27H,5H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 436.58 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 132670901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).