5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide

C19H19NO3S — CID 174995904

IUPAC5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide
SMILESCN(C)C(=O)C(=CC=CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3S/c1-20(2)19(21)18(16-10-5-3-6-11-16)14-9-15-24(22,23)17-12-7-4-8-13-17/h3-15H,1-2H3
InChIKeyCBLIKTLAVKGAQN-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.15
Rot. Bonds5

About 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide

5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide (PubChem CID 174995904) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide
PubChem CID174995904
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide
SMILESCN(C)C(=O)C(=CC=CS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3S/c1-20(2)19(21)18(16-10-5-3-6-11-16)14-9-15-24(22,23)17-12-7-4-8-13-17/h3-15H,1-2H3
InChIKeyCBLIKTLAVKGAQN-UHFFFAOYSA-N
XLogP3.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4Z)-5-(benzenesulfonyl)penta-2,4-dien-1-ol
CID 100930005
(E)-3-(benzenesulfonyl)prop-2-enoic acid;pentahydrate
CID 19831534
N-[(2E,4Z)-1-(dimethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 20831443
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
CID 88513820
CID 88513820
(2Z,4E)-2,5-diphenylpenta-2,4-dienoic acid
CID 6108389
3-(benzenesulfonyl)prop-2-enamide;dihydrochloride
CID 129105097
5-(benzenesulfonyl)-3-methylpenta-2,4-dienoic acid
CID 91583799
1-[(3Z,5E)-6-(benzenesulfonyl)-2-methoxyhexa-3,5-dien-3-yl]sulfonyl-4-methylbenzene
CID 15092082
(2E,4E)-2-phenylhexa-2,4-dienamide
CID 173390067
3-(4-chlorophenyl)sulfonyl-1-phenylprop-2-en-1-one
CID 2825843
N-[(Z)-2-(benzenesulfonyl)-1-phenylethenyl]acetamide
CID 162400578

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide?
The IUPAC name of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide (CID 174995904) is 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide?
The canonical SMILES for 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide is CN(C)C(=O)C(=CC=CS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide?
The InChIKey is CBLIKTLAVKGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-20(2)19(21)18(16-10-5-3-6-11-16)14-9-15-24(22,23)17-12-7-4-8-13-17/h3-15H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide?
5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide has a molecular weight of 341.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N,N-dimethyl-2-phenylpenta-2,4-dienamide is sourced from PubChem (CID 174995904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).