(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide

C16H24N2O5S — CID 46798919

IUPAC(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCCOCCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1
InChIInChI=1S/C16H24N2O5S/c1-4-23-11-5-10-18-16(19)9-7-13-6-8-14(22-3)15(12-13)24(20,21)17-2/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)/b9-7+
InChIKeySONTVEYTUWLNQH-VQHVLOKHSA-N
MW356.44 g/mol
LogP1.16
Rot. Bonds10

About (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide

(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 46798919) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID46798919
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESCCOCCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1
InChIInChI=1S/C16H24N2O5S/c1-4-23-11-5-10-18-16(19)9-7-13-6-8-14(22-3)15(12-13)24(20,21)17-2/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)/b9-7+
InChIKeySONTVEYTUWLNQH-VQHVLOKHSA-N
XLogP1.16
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-(3-ethoxypropylsulfamoyl)-4-methoxyphenyl]prop-2-enoate
CID 9160581
(E)-N-[3-(N-ethylanilino)propyl]-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 37244959
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
CID 102603478
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 34582888
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]prop-2-enamide
CID 55964280
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498249

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide (CID 46798919) is (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide is CCOCCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1.
What is the InChIKey of (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is SONTVEYTUWLNQH-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-23-11-5-10-18-16(19)9-7-13-6-8-14(22-3)15(12-13)24(20,21)17-2/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,18,19)/b9-7+.
What are the key properties of (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide?
(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 356.44 g/mol, XLogP of 1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 46798919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).