N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

C25H28N2O3S — CID 100558623

IUPACN-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(CC)c(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O3S/c1-4-19-12-13-20(5-2)21(16-19)17-26-25(28)23-8-6-7-9-24(23)27-31(29,30)22-14-10-18(3)11-15-22/h6-16,27H,4-5,17H2,1-3H3,(H,26,28)
InChIKeyKZQVAQMQCSKILT-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.85
Rot. Bonds8

About N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide

N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 100558623) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID100558623
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCc1ccc(CC)c(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H28N2O3S/c1-4-19-12-13-20(5-2)21(16-19)17-26-25(28)23-8-6-7-9-24(23)27-31(29,30)22-14-10-18(3)11-15-22/h6-16,27H,4-5,17H2,1-3H3,(H,26,28)
InChIKeyKZQVAQMQCSKILT-UHFFFAOYSA-N
XLogP4.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473
2-[(4-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 2973231
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412821
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 100558623) is N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is CCc1ccc(CC)c(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is KZQVAQMQCSKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-4-19-12-13-20(5-2)21(16-19)17-26-25(28)23-8-6-7-9-24(23)27-31(29,30)22-14-10-18(3)11-15-22/h6-16,27H,4-5,17H2,1-3H3,(H,26,28).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 100558623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).