N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide

C12H16N2O3S — CID 139018728

IUPACN-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1
InChIInChI=1S/C12H16N2O3S/c1-4-12(15)13-10-6-8-11(9-7-10)14(3)18(16,17)5-2/h4,6-9H,1,5H2,2-3H3,(H,13,15)
InChIKeyHAWDNVNUCCSODL-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.60
Rot. Bonds5

About N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide

N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide (PubChem CID 139018728) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide
PubChem CID139018728
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1
InChIInChI=1S/C12H16N2O3S/c1-4-12(15)13-10-6-8-11(9-7-10)14(3)18(16,17)5-2/h4,6-9H,1,5H2,2-3H3,(H,13,15)
InChIKeyHAWDNVNUCCSODL-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 17200572
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-[4-[2-(dioctylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166427310
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
dimethyl-octadecyl-[4-(prop-2-enoylamino)phenyl]azanium chloride
CID 161019240
4-[ethylsulfonyl(methyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100553547
N-[4-(4-propan-2-ylphenyl)sulfonylphenyl]prop-2-enamide
CID 138531780
N-[4-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 43616637

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide (CID 139018728) is N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1.
What is the InChIKey of N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide?
The InChIKey is HAWDNVNUCCSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-4-12(15)13-10-6-8-11(9-7-10)14(3)18(16,17)5-2/h4,6-9H,1,5H2,2-3H3,(H,13,15).
What are the key properties of N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide?
N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide has a molecular weight of 268.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide is sourced from PubChem (CID 139018728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).