(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

C10H13NO2S — CID 43389925

IUPAC(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCO)s1
InChIInChI=1S/C10H13NO2S/c1-8-2-3-9(14-8)4-5-10(13)11-6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)/b5-4+
InChIKeyFOQJIRQSEMJYHJ-SNAWJCMRSA-N
MW211.29 g/mol
LogP1.18
Rot. Bonds4

About (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 43389925) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID43389925
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCO)s1
InChIInChI=1S/C10H13NO2S/c1-8-2-3-9(14-8)4-5-10(13)11-6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)/b5-4+
InChIKeyFOQJIRQSEMJYHJ-SNAWJCMRSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403
(E)-3-(5-chlorothiophen-2-yl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43394522
N-(3-hydroxy-2-methylpropyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 77055780
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 40728169
(E)-N-(3-methyl-2-propan-2-ylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 102914905
(E)-N-(2-ethylbutyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 115612726
(E)-N-[2-(2-hydroxyethyl)pentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 103820584
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9022616
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(2-hydroxyethyl)prop-2-enamide
CID 78847155
1-[2-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496785
(E)-N-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427455
(E)-N-(2-hydroxy-2-methylpentyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113246004

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 43389925) is (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCO)s1.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is FOQJIRQSEMJYHJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-8-2-3-9(14-8)4-5-10(13)11-6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)/b5-4+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 211.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 43389925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).