3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide

C19H19FN2OS — CID 4901690

IUPAC3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCCc2c[nH]c3ccc(F)cc23)s1
InChIInChI=1S/C19H19FN2OS/c1-2-15-4-5-16(24-15)6-8-19(23)21-10-9-13-12-22-18-7-3-14(20)11-17(13)18/h3-8,11-12,22H,2,9-10H2,1H3,(H,21,23)
InChIKeyXRMBYURRVMEZAS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.30
Rot. Bonds6

About 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide

3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide (PubChem CID 4901690) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide
PubChem CID4901690
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC Name3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide
SMILESCCc1ccc(C=CC(=O)NCCc2c[nH]c3ccc(F)cc23)s1
InChIInChI=1S/C19H19FN2OS/c1-2-15-4-5-16(24-15)6-8-19(23)21-10-9-13-12-22-18-7-3-14(20)11-17(13)18/h3-8,11-12,22H,2,9-10H2,1H3,(H,21,23)
InChIKeyXRMBYURRVMEZAS-UHFFFAOYSA-N
XLogP4.30
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
CID 124743065
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide
CID 20979893
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 110731470
(E)-3-[1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]prop-2-enamide bromide
CID 122193134
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide
CID 49409260

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide (CID 4901690) is 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide is CCc1ccc(C=CC(=O)NCCc2c[nH]c3ccc(F)cc23)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide?
The InChIKey is XRMBYURRVMEZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-2-15-4-5-16(24-15)6-8-19(23)21-10-9-13-12-22-18-7-3-14(20)11-17(13)18/h3-8,11-12,22H,2,9-10H2,1H3,(H,21,23).
What are the key properties of 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide?
3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 4901690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).