(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C21H21NO3S — CID 134059271

IUPAC(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C21H21NO3S/c1-2-24-18-10-7-17(8-11-18)9-12-21(23)22(15-19-5-3-13-25-19)16-20-6-4-14-26-20/h3-14H,2,15-16H2,1H3/b12-9+
InChIKeyCFHPUSBRCUIOKJ-FMIVXFBMSA-N
MW367.47 g/mol
LogP4.98
Rot. Bonds8

About (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 134059271) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID134059271
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C21H21NO3S/c1-2-24-18-10-7-17(8-11-18)9-12-21(23)22(15-19-5-3-13-25-19)16-20-6-4-14-26-20/h3-14H,2,15-16H2,1H3/b12-9+
InChIKeyCFHPUSBRCUIOKJ-FMIVXFBMSA-N
XLogP4.98
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 8850492
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 56811678
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
(E)-3-(4-methylphenyl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31837807
(E)-N-(furan-2-ylmethyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 31833911
(E)-N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 16617006
(E)-3-(3,4-diethoxyphenyl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55373046
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
N-ethyl-3-(furan-3-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 123311433
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 134059271) is (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is CFHPUSBRCUIOKJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-2-24-18-10-7-17(8-11-18)9-12-21(23)22(15-19-5-3-13-25-19)16-20-6-4-14-26-20/h3-14H,2,15-16H2,1H3/b12-9+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 367.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 134059271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).