(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide

C18H21NO3S — CID 9071410

IUPAC(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-3-8-17(14-9-5-4-6-10-14)18(20)19-15-11-7-12-16(13-15)23(2,21)22/h4-7,9-13,17H,3,8H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyZQAIYXPFZLIBPP-QGZVFWFLSA-N
MW331.44 g/mol
LogP3.61
Rot. Bonds6

About (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide

(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide (PubChem CID 9071410) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
PubChem CID9071410
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
SMILESCCC[C@@H](C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C18H21NO3S/c1-3-8-17(14-9-5-4-6-10-14)18(20)19-15-11-7-12-16(13-15)23(2,21)22/h4-7,9-13,17H,3,8H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyZQAIYXPFZLIBPP-QGZVFWFLSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9450352
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
2-ethyl-N-(3-methylsulfonylphenyl)butanamide
CID 47118406
(2S)-2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 9219484
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
4-amino-5-(3-methylsulfonylanilino)-5-oxopentanoic acid
CID 64888717
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
2-[methyl(pentan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 42959271

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide?
The IUPAC name of (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide (CID 9071410) is (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide.
What is the SMILES notation for (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide?
The canonical SMILES for (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide is CCC[C@@H](C(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1.
What is the InChIKey of (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide?
The InChIKey is ZQAIYXPFZLIBPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-8-17(14-9-5-4-6-10-14)18(20)19-15-11-7-12-16(13-15)23(2,21)22/h4-7,9-13,17H,3,8H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide?
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide has a molecular weight of 331.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide is sourced from PubChem (CID 9071410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).