4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide

C28H25NO3S — CID 55757536

IUPAC4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NO3S/c1-21-12-16-24(17-13-21)27(23-8-4-2-5-9-23)29-28(30)25-18-14-22(15-19-25)20-33(31,32)26-10-6-3-7-11-26/h2-19,27H,20H2,1H3,(H,29,30)
InChIKeyKUWLMJABYWDHPT-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.49
Rot. Bonds7

About 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide

4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 55757536) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID55757536
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC Name4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H25NO3S/c1-21-12-16-24(17-13-21)27(23-8-4-2-5-9-23)29-28(30)25-18-14-22(15-19-25)20-33(31,32)26-10-6-3-7-11-26/h2-19,27H,20H2,1H3,(H,29,30)
InChIKeyKUWLMJABYWDHPT-UHFFFAOYSA-N
XLogP5.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99941907
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
3-[[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]amino]butanoic acid
CID 119220917
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[bis(4-methylphenyl)methyl]-4-sulfamoylbenzamide
CID 21130775
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 46763987
4-(benzenesulfonylmethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 55756465
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94016022

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide (CID 55757536) is 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc(C(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is KUWLMJABYWDHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c1-21-12-16-24(17-13-21)27(23-8-4-2-5-9-23)29-28(30)25-18-14-22(15-19-25)20-33(31,32)26-10-6-3-7-11-26/h2-19,27H,20H2,1H3,(H,29,30).
What are the key properties of 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide?
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 455.58 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 55757536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).