(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide

C18H18N2OS — CID 110298536

IUPAC(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-13(11-15-5-4-10-22-15)18(21)19-9-8-14-12-20-17-7-3-2-6-16(14)17/h2-7,10-12,20H,8-9H2,1H3,(H,19,21)/b13-11+
InChIKeyDJUCFUIEYFRZGO-ACCUITESSA-N
MW310.42 g/mol
LogP3.99
Rot. Bonds5

About (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide

(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 110298536) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID110298536
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-13(11-15-5-4-10-22-15)18(21)19-9-8-14-12-20-17-7-3-2-6-16(14)17/h2-7,10-12,20H,8-9H2,1H3,(H,19,21)/b13-11+
InChIKeyDJUCFUIEYFRZGO-ACCUITESSA-N
XLogP3.99
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.99
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

2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
(E)-2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-3-phenylprop-2-enamide
CID 17271955
2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 5226150
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299013
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
3-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2109863
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
N-[2-(1H-indol-3-yl)ethyl]-3-[4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide
CID 4972045
N-[2-(1H-indol-3-yl)ethyl]-N'-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]oxamide
CID 28820719

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide (CID 110298536) is (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide is C/C(=C\c1cccs1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DJUCFUIEYFRZGO-ACCUITESSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-13(11-15-5-4-10-22-15)18(21)19-9-8-14-12-20-17-7-3-2-6-16(14)17/h2-7,10-12,20H,8-9H2,1H3,(H,19,21)/b13-11+.
What are the key properties of (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 310.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 110298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).