(E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide

C11H15NO2S — CID 43418445

IUPAC(E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1/C=C/C(=O)NCC(C)O
InChIInChI=1S/C11H15NO2S/c1-8-5-6-15-10(8)3-4-11(14)12-7-9(2)13/h3-6,9,13H,7H2,1-2H3,(H,12,14)/b4-3+
InChIKeyCKALHIAILBRLGY-ONEGZZNKSA-N
MW225.31 g/mol
LogP1.57
Rot. Bonds4

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

(E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 43418445) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID43418445
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1/C=C/C(=O)NCC(C)O
InChIInChI=1S/C11H15NO2S/c1-8-5-6-15-10(8)3-4-11(14)12-7-9(2)13/h3-6,9,13H,7H2,1-2H3,(H,12,14)/b4-3+
InChIKeyCKALHIAILBRLGY-ONEGZZNKSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.57
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

(Z)-2-Cyano-N-(2-methoxy-ethyl)-3-thiophen-2-yl-acrylamide
CID 1930697
N-isobutyl-3-(2-thienyl)acrylamide
CID 896779
N-[2-hydroxy-3-(thiophen-2-ylmethylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
CID 24845246
2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]acetic acid
CID 5790973
(E)-N-(2-methoxyethyl)-3-thiophen-2-ylprop-2-enamide
CID 1744820
(2E)-N-(3-methoxypropyl)-3-(2-thienyl)prop-2-enamide
CID 2165716
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(2-hydroxypropyl)prop-2-enamide
CID 78854894
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-N-(2-hydroxypropyl)prop-2-enamide
CID 78855861
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103723045
(E)-3-thiophen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 103730644
(E)-3-(3-methylthiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 103755803
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-thiophen-2-ylprop-2-enamide
CID 103769597

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 43418445) is (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is Cc1ccsc1/C=C/C(=O)NCC(C)O.
What is the InChIKey of (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is CKALHIAILBRLGY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-5-6-15-10(8)3-4-11(14)12-7-9(2)13/h3-6,9,13H,7H2,1-2H3,(H,12,14)/b4-3+.
What are the key properties of (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 225.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 43418445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).