(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide

C11H13NOS — CID 162665088

IUPAC(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide
SMILESCCNC(=O)/C=C/C=C/c1ccsc1
InChIInChI=1S/C11H13NOS/c1-2-12-11(13)6-4-3-5-10-7-8-14-9-10/h3-9H,2H2,1H3,(H,12,13)/b5-3+,6-4+
InChIKeyZEDWEKAPLYKTPC-GGWOSOGESA-N
MW207.30 g/mol
LogP2.45
Rot. Bonds4

About (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide

(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide (PubChem CID 162665088) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide
PubChem CID162665088
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide
SMILESCCNC(=O)/C=C/C=C/c1ccsc1
InChIInChI=1S/C11H13NOS/c1-2-12-11(13)6-4-3-5-10-7-8-14-9-10/h3-9H,2H2,1H3,(H,12,13)/b5-3+,6-4+
InChIKeyZEDWEKAPLYKTPC-GGWOSOGESA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-ethyl-5-(thiophen-3-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 5737793
(5Z)-3-allyl-5-(thien-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 5456796
(2E,4E,6E)-N-Isobutyl-7-(2-Thienyl)-2,4,6-Heptatrienamide
CID 73349612
(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
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
3-Thiophen-3-yl-1,2-dihydropyrrol-5-one
CID 10964867
(E)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 5898676
N-(2-Methylpropyl)-6-(thiophen-2-yl)hexa-2,4-dienamide
CID 71363133

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide (CID 162665088) is (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide is CCNC(=O)/C=C/C=C/c1ccsc1.
What is the InChIKey of (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide?
The InChIKey is ZEDWEKAPLYKTPC-GGWOSOGESA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-12-11(13)6-4-3-5-10-7-8-14-9-10/h3-9H,2H2,1H3,(H,12,13)/b5-3+,6-4+.
What are the key properties of (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide?
(2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide has a molecular weight of 207.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-ethyl-5-thiophen-3-ylpenta-2,4-dienamide is sourced from PubChem (CID 162665088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).