4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide

C17H21NO3S — CID 11324645

IUPAC4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C/C=C/C1CCC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-3-12-18(13-4-5-15-8-11-17(15)19)22(20,21)16-9-6-14(2)7-10-16/h3-7,9-10,15H,1,8,11-13H2,2H3/b5-4+
InChIKeyIOPWJQURZQHQGW-SNAWJCMRSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds7

About 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide

4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 11324645) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID11324645
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C/C=C/C1CCC1=O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO3S/c1-3-12-18(13-4-5-15-8-11-17(15)19)22(20,21)16-9-6-14(2)7-10-16/h3-7,9-10,15H,1,8,11-13H2,2H3/b5-4+
InChIKeyIOPWJQURZQHQGW-SNAWJCMRSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Tosylpiperidin-4-one
CID 560957
50487-72-4
CID 351447
2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
p-Toluenesulfonamide, N,N-diisobutyl-
CID 347533
1-Tosylazetidin-3-one
CID 535520
4-[(E)-8-oxo-7-propanoyl-dec-3-enyl]benzenesulfonamide
CID 6479326
5-Methyl-1-((4-methylphenyl)sulfonyl)-1,6-dihydro-3(2H)-pyridinone
CID 677384
4-acetyl-N,N-diethylbenzenesulfonamide
CID 750432
2-Ethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
CID 44825799
2-Ethyl-1-[(4-methylphenyl)sulfonyl]azetidin-3-one
CID 550954
N-buta-2,3-dienyl-4-methyl-N-(3-oxopropyl)benzenesulfonamide
CID 15533711
N,4-Dimethyl-N-(2-oxopropyl)benzenesulfonamide
CID 593183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide (CID 11324645) is 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide is C=CCN(C/C=C/C1CCC1=O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is IOPWJQURZQHQGW-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-12-18(13-4-5-15-8-11-17(15)19)22(20,21)16-9-6-14(2)7-10-16/h3-7,9-10,15H,1,8,11-13H2,2H3/b5-4+.
What are the key properties of 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide?
4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-(2-oxocyclobutyl)prop-2-enyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11324645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).