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

C11H15NO2S — CID 43417774

IUPAC(E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1/C=C/C(=O)NCCCO
InChIInChI=1S/C11H15NO2S/c1-9-5-8-15-10(9)3-4-11(14)12-6-2-7-13/h3-5,8,13H,2,6-7H2,1H3,(H,12,14)/b4-3+
InChIKeySQZMIFCBMMVFNW-ONEGZZNKSA-N
MW225.31 g/mol
LogP1.57
Rot. Bonds5

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

(E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (PubChem CID 43417774) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
PubChem CID43417774
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccsc1/C=C/C(=O)NCCCO
InChIInChI=1S/C11H15NO2S/c1-9-5-8-15-10(9)3-4-11(14)12-6-2-7-13/h3-5,8,13H,2,6-7H2,1H3,(H,12,14)/b4-3+
InChIKeySQZMIFCBMMVFNW-ONEGZZNKSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-Isobutyl-6-(2-thienyl)hexa-2,4-dienamide
CID 14776997
(E)-N-prop-2-enyl-3-thiophen-2-ylprop-2-enamide
CID 2413117
(2E,4E,6E)-N-Isopentyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 72696080
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 73349612
N-isobutyl-3-(2-thienyl)acrylamide
CID 896779
N-butyl-3-(2-thienyl)acrylamide
CID 1744805
(E)-N-butan-2-yl-3-thiophen-2-ylprop-2-enamide
CID 6372746
(E)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 5898676
N-(2-Methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienamide
CID 71363133
(2E,4E)-N-ethyl-5-thiophen-2-ylpenta-2,4-dienamide
CID 147870205
3-[(3-Methyl-thiophen-2-ylmethyl)-amino]-propan-1-ol
CID 3151939
2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]acetic acid
CID 5790973

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide (CID 43417774) is (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is Cc1ccsc1/C=C/C(=O)NCCCO.
What is the InChIKey of (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is SQZMIFCBMMVFNW-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9-5-8-15-10(9)3-4-11(14)12-6-2-7-13/h3-5,8,13H,2,6-7H2,1H3,(H,12,14)/b4-3+.
What are the key properties of (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 225.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxypropyl)-3-(3-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 43417774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).