N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide

C23H23NO3S — CID 24761812

IUPACN-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)22-15-9-8-14-21(22)23(25)24-17-16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,24,25)
InChIKeyIATJKPMSRBTQCX-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.04
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide

N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide (PubChem CID 24761812) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
PubChem CID24761812
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)22-15-9-8-14-21(22)23(25)24-17-16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,24,25)
InChIKeyIATJKPMSRBTQCX-UHFFFAOYSA-N
XLogP4.04
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
3-[(2-methylsulfonylbenzoyl)amino]-3-phenylpropanoic acid
CID 45461472
N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
N-[2-(2-methylpropoxy)ethyl]-2-methylsulfonylbenzamide
CID 60533042
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
CID 4257835
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
CID 7112392
N-(3,3-diphenylpropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 9398159

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide (CID 24761812) is N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide?
The InChIKey is IATJKPMSRBTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-28(26,27)22-15-9-8-14-21(22)23(25)24-17-16-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,20H,16-17H2,1H3,(H,24,25).
What are the key properties of N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide?
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide has a molecular weight of 393.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide is sourced from PubChem (CID 24761812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).