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

C23H23NO3S — CID 26881037

IUPACN-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)21-14-8-13-20(17-21)23(25)24-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H,24,25)
InChIKeyYWBUBMHQCINBKM-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.04
Rot. Bonds7

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

N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide (PubChem CID 26881037) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
PubChem CID26881037
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H23NO3S/c1-28(26,27)21-14-8-13-20(17-21)23(25)24-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H,24,25)
InChIKeyYWBUBMHQCINBKM-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

2-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 80537996
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801
5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(6-iodohexyl)-3-methylsulfonylbenzamide
CID 107848585
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide (CID 26881037) is N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide?
The InChIKey is YWBUBMHQCINBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-28(26,27)21-14-8-13-20(17-21)23(25)24-16-15-22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,17,22H,15-16H2,1H3,(H,24,25).
What are the key properties of N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide?
N-(3,3-diphenylpropyl)-3-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)-3-methylsulfonylbenzamide is sourced from PubChem (CID 26881037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).