N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide

C18H19NO4S — CID 123832294

IUPACN-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-3-19-24(21,22)17-11-7-15(8-12-17)18(20)13-6-14-4-9-16(23-2)10-5-14/h4-13,19H,3H2,1-2H3
InChIKeyXBAMFKWQLSGUKT-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide

N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide (PubChem CID 123832294) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide
PubChem CID123832294
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-3-19-24(21,22)17-11-7-15(8-12-17)18(20)13-6-14-4-9-16(23-2)10-5-14/h4-13,19H,3H2,1-2H3
InChIKeyXBAMFKWQLSGUKT-UHFFFAOYSA-N
XLogP2.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonamide
CID 67935172
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
4-[3-(4-methoxyphenyl)prop-2-enoyl]benzaldehyde
CID 150176729
methyl 2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 9067372
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 5357659
2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]acetate
CID 7808888
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
ethyl 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetate
CID 11727535
(E)-1-(4-methoxyphenyl)-3-[4-(triazirin-1-yl)phenyl]prop-2-en-1-one
CID 6000631
(E)-3-(4-methoxyphenyl)-1-pyridin-1-ium-4-ylprop-2-en-1-one;chloride;hydrate
CID 139199692
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828136

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide (CID 123832294) is N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)C=Cc2ccc(OC)cc2)cc1.
What is the InChIKey of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide?
The InChIKey is XBAMFKWQLSGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-3-19-24(21,22)17-11-7-15(8-12-17)18(20)13-6-14-4-9-16(23-2)10-5-14/h4-13,19H,3H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide?
N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide is sourced from PubChem (CID 123832294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).