N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide

C19H21NO3S — CID 134954317

IUPACN,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide
SMILESC=C[C@H](c1ccccc1)[C@H](C=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-18(16-8-6-5-7-9-16)19(14-21)20(3)24(22,23)17-12-10-15(2)11-13-17/h4-14,18-19H,1H2,2-3H3/t18-,19+/m1/s1
InChIKeyDUDBKLZOTKDUGP-MOPGFXCFSA-N
MW343.45 g/mol
LogP3.15
Rot. Bonds7

About N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide

N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide (PubChem CID 134954317) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide
PubChem CID134954317
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide
SMILESC=C[C@H](c1ccccc1)[C@H](C=O)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-4-18(16-8-6-5-7-9-16)19(14-21)20(3)24(22,23)17-12-10-15(2)11-13-17/h4-14,18-19H,1H2,2-3H3/t18-,19+/m1/s1
InChIKeyDUDBKLZOTKDUGP-MOPGFXCFSA-N
XLogP3.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11761229
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(1-oxo-3-phenylpropan-2-yl)pentanamide
CID 10432068
N-(1-Formyl-2-phenyl-ethyl)-3-methyl-2-(toluene-4-sulfonylamino)-butyramide
CID 44381726
4-methyl-N-[(2S)-4-oxo-1-phenylbutan-2-yl]benzenesulfonamide
CID 10757857
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-N-methyl-5-phenylpentanamide
CID 142727622
N-cyclohexyl-4-formyl-N-methylbenzenesulfonamide
CID 155923733
N,4-Dimethyl-N-(2-oxo-2-phenylethyl)benzenesulfonamide
CID 366225
N-(4-tert-butyl-1-formylcyclohexyl)-4-methylbenzenesulfonamide
CID 358272
5-[1-(p-Tolylsulfonyl)aziridin-2-yl]pentanal
CID 390158
N,4-dimethyl-N-[(1S,7R,8S)-9-oxo-8-bicyclo[5.2.0]nonanyl]benzenesulfonamide
CID 12995811
N-[(1S,2R)-2-butyl-4-oxocyclobutyl]-N,4-dimethylbenzenesulfonamide
CID 12997090
N,4-dimethyl-N-[(1S,6R,7S)-8-oxo-7-bicyclo[4.2.0]oct-4-enyl]benzenesulfonamide
CID 101765038

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide (CID 134954317) is N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide is C=C[C@H](c1ccccc1)[C@H](C=O)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide?
The InChIKey is DUDBKLZOTKDUGP-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-4-18(16-8-6-5-7-9-16)19(14-21)20(3)24(22,23)17-12-10-15(2)11-13-17/h4-14,18-19H,1H2,2-3H3/t18-,19+/m1/s1.
What are the key properties of N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide?
N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2R,3R)-1-oxo-3-phenylpent-4-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 134954317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).