N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide

C20H23NO3S — CID 154720321

IUPACN-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide
SMILESC=CCCC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H23NO3S/c1-2-3-14-20(22)19(15-17-10-6-4-7-11-17)21-25(23,24)16-18-12-8-5-9-13-18/h2,4-13,19,21H,1,3,14-16H2/t19-/m1/s1
InChIKeySQJJEKKBUFGKDE-LJQANCHMSA-N
MW357.48 g/mol
LogP3.25
Rot. Bonds10

About N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide

N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide (PubChem CID 154720321) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide
PubChem CID154720321
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide
SMILESC=CCCC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C20H23NO3S/c1-2-3-14-20(22)19(15-17-10-6-4-7-11-17)21-25(23,24)16-18-12-8-5-9-13-18/h2,4-13,19,21H,1,3,14-16H2/t19-/m1/s1
InChIKeySQJJEKKBUFGKDE-LJQANCHMSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,8S)-8-(benzylsulfonylamino)-4,6-difluoro-3,5,7-trioxo-1,9-diphenylnonan-2-yl]-1-phenylmethanesulfonamide
CID 171616798
(2S)-2-(benzylsulfonylamino)-3-phenylpropanoic acid;1,3-dichloropropan-2-one
CID 159933246
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
(2S)-2-(hex-5-enoylamino)-3-phenylpropanoic acid
CID 119366534
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
3-phenyl-2-(undec-10-enylamino)propanoic acid
CID 90830081
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
2-(2-methoxyethylsulfonylamino)-3-phenylpropanoic acid
CID 55009884
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
3-phenyl-2-[[3-phenyl-2-(undec-10-enoylamino)propanoyl]amino]propanoic acid
CID 70673825

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide (CID 154720321) is N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide is C=CCCC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide?
The InChIKey is SQJJEKKBUFGKDE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-2-3-14-20(22)19(15-17-10-6-4-7-11-17)21-25(23,24)16-18-12-8-5-9-13-18/h2,4-13,19,21H,1,3,14-16H2/t19-/m1/s1.
What are the key properties of N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide?
N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-oxo-1-phenylhept-6-en-2-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 154720321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).