4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide

C23H23NO3S — CID 55916827

IUPAC4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO3S/c1-17-13-18(2)15-21(14-17)24(3)23(25)20-11-9-19(10-12-20)16-28(26,27)22-7-5-4-6-8-22/h4-15H,16H2,1-3H3
InChIKeyPANPSMIWEBNJLB-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.55
Rot. Bonds5

About 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide

4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide (PubChem CID 55916827) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide
PubChem CID55916827
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H23NO3S/c1-17-13-18(2)15-21(14-17)24(3)23(25)20-11-9-19(10-12-20)16-28(26,27)22-7-5-4-6-8-22/h4-15H,16H2,1-3H3
InChIKeyPANPSMIWEBNJLB-UHFFFAOYSA-N
XLogP4.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethylphenyl)methylsulfonyl]benzoic acid
CID 61030223
4-[(4-methylphenyl)methylsulfonyl]benzoic acid
CID 24705378
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 147984854
3-[ethyl-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]amino]propanoic acid
CID 119191122
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
4-[(3-methylphenyl)sulfonylmethyl]phenol
CID 166449787
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061718
4-[(3-methylphenyl)methylsulfonyl]benzoic acid
CID 24710637
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
4-[(3-chlorophenyl)sulfonylmethyl]benzoic acid
CID 62646802

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide (CID 55916827) is 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide?
The InChIKey is PANPSMIWEBNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-17-13-18(2)15-21(14-17)24(3)23(25)20-11-9-19(10-12-20)16-28(26,27)22-7-5-4-6-8-22/h4-15H,16H2,1-3H3.
What are the key properties of 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide?
4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-(3,5-dimethylphenyl)-N-methylbenzamide is sourced from PubChem (CID 55916827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).