(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C19H23NO5S — CID 6297086

IUPAC(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCSCc2ccco2)c(OC)c1OC
InChIInChI=1S/C19H23NO5S/c1-22-16-8-6-14(18(23-2)19(16)24-3)7-9-17(21)20-10-12-26-13-15-5-4-11-25-15/h4-9,11H,10,12-13H2,1-3H3,(H,20,21)/b9-7+
InChIKeyRVXXIRDPXNDXSY-VQHVLOKHSA-N
MW377.46 g/mol
LogP3.37
Rot. Bonds10

About (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 6297086) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID6297086
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCSCc2ccco2)c(OC)c1OC
InChIInChI=1S/C19H23NO5S/c1-22-16-8-6-14(18(23-2)19(16)24-3)7-9-17(21)20-10-12-26-13-15-5-4-11-25-15/h4-9,11H,10,12-13H2,1-3H3,(H,20,21)/b9-7+
InChIKeyRVXXIRDPXNDXSY-VQHVLOKHSA-N
XLogP3.37
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
(E)-N-(3-methoxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126388548
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2261361
3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylprop-2-enamide
CID 3803224
N-(3-propan-2-yloxypropyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4241398
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[2-(furan-2-yl)ethyl]-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 55686707
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 17484047

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 6297086) is (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCSCc2ccco2)c(OC)c1OC.
What is the InChIKey of (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is RVXXIRDPXNDXSY-VQHVLOKHSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-22-16-8-6-14(18(23-2)19(16)24-3)7-9-17(21)20-10-12-26-13-15-5-4-11-25-15/h4-9,11H,10,12-13H2,1-3H3,(H,20,21)/b9-7+.
What are the key properties of (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 377.46 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 6297086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).