(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C16H17NO3S — CID 61015357

IUPAC(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cccs2)cc1CO
InChIInChI=1S/C16H17NO3S/c1-2-20-15-7-5-13(10-12(15)11-18)17-16(19)8-6-14-4-3-9-21-14/h3-10,18H,2,11H2,1H3,(H,17,19)/b8-6+
InChIKeyNZQVTSIMHTUPKS-SOFGYWHQSA-N
MW303.38 g/mol
LogP3.29
Rot. Bonds6

About (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 61015357) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID61015357
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2cccs2)cc1CO
InChIInChI=1S/C16H17NO3S/c1-2-20-15-7-5-13(10-12(15)11-18)17-16(19)8-6-14-4-3-9-21-14/h3-10,18H,2,11H2,1H3,(H,17,19)/b8-6+
InChIKeyNZQVTSIMHTUPKS-SOFGYWHQSA-N
XLogP3.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1,3-benzoxazol-2-yl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]prop-2-enamide
CID 110899671
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
CID 71977432
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-naphthalen-2-yl-3-thiophen-2-ylprop-2-enamide
CID 3594199
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
(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-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
N-(3,5-dimethylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 922899
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
(E)-N-[3-(methoxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 33099029
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 61015357) is (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2cccs2)cc1CO.
What is the InChIKey of (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NZQVTSIMHTUPKS-SOFGYWHQSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-2-20-15-7-5-13(10-12(15)11-18)17-16(19)8-6-14-4-3-9-21-14/h3-10,18H,2,11H2,1H3,(H,17,19)/b8-6+.
What are the key properties of (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 303.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 61015357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).