N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide

C24H25NO3S — CID 46488801

IUPACN-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1S(C)(=O)=O
InChIInChI=1S/C24H25NO3S/c1-18-13-14-21(17-23(18)29(2,27)28)24(26)25-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22H,15-16H2,1-2H3,(H,25,26)
InChIKeyMWQCERNGFANRKL-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.35
Rot. Bonds7

About N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide

N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide (PubChem CID 46488801) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
PubChem CID46488801
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC NameN-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1S(C)(=O)=O
InChIInChI=1S/C24H25NO3S/c1-18-13-14-21(17-23(18)29(2,27)28)24(26)25-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22H,15-16H2,1-2H3,(H,25,26)
InChIKeyMWQCERNGFANRKL-UHFFFAOYSA-N
XLogP4.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
N-(3,3-diphenylpropyl)-2-methylsulfonylbenzamide
CID 24761812
4-methyl-N-[2-(methylamino)ethyl]-3-methylsulfonylbenzamide
CID 119501364
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methyl-3-methylsulfonylbenzamide
CID 51117630
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide (CID 46488801) is N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide is Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1S(C)(=O)=O.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide?
The InChIKey is MWQCERNGFANRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-18-13-14-21(17-23(18)29(2,27)28)24(26)25-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,17,22H,15-16H2,1-2H3,(H,25,26).
What are the key properties of N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide?
N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide has a molecular weight of 407.54 g/mol, XLogP of 4.35, 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)-4-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 46488801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).