(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide

C20H25NO2S — CID 6235244

IUPAC(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCCCCCCOc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C20H25NO2S/c1-2-3-4-5-6-15-23-18-11-9-17(10-12-18)21-20(22)14-13-19-8-7-16-24-19/h7-14,16H,2-6,15H2,1H3,(H,21,22)/b14-13+
InChIKeyRACXRVONKNOLQL-BUHFOSPRSA-N
MW343.49 g/mol
LogP5.75
Rot. Bonds10

About (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 6235244) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID6235244
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
SMILESCCCCCCCOc1ccc(NC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C20H25NO2S/c1-2-3-4-5-6-15-23-18-11-9-17(10-12-18)21-20(22)14-13-19-8-7-16-24-19/h7-14,16H,2-6,15H2,1H3,(H,21,22)/b14-13+
InChIKeyRACXRVONKNOLQL-BUHFOSPRSA-N
XLogP5.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-[4-(3-methylbutoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 6235211
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4958307
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
(E)-3-thiophen-2-yl-1-[4-[4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 139219860
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4951604
4-(4-butoxyanilino)-4-oxobut-2-enoate
CID 6999371
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 4929254

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide (CID 6235244) is (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide is CCCCCCCOc1ccc(NC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RACXRVONKNOLQL-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-2-3-4-5-6-15-23-18-11-9-17(10-12-18)21-20(22)14-13-19-8-7-16-24-19/h7-14,16H,2-6,15H2,1H3,(H,21,22)/b14-13+.
What are the key properties of (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 343.49 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6235244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).