2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C18H18N2OS — CID 43017580

IUPAC2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-2-9-20(13-15-6-5-10-22-15)18(21)11-14-12-19-17-8-4-3-7-16(14)17/h2-8,10,12,19H,1,9,11,13H2
InChIKeySLMPWNFXMUCOTK-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.99
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 43017580) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID43017580
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2OS/c1-2-9-20(13-15-6-5-10-22-15)18(21)11-14-12-19-17-8-4-3-7-16(14)17/h2-8,10,12,19H,1,9,11,13H2
InChIKeySLMPWNFXMUCOTK-UHFFFAOYSA-N
XLogP3.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103339966
(2S)-2-amino-N-ethyl-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119956104
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86847886
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-iodo-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330561
2-[(3R)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104975631
2-[(3S)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104977075
N-ethyl-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40854853
N-ethyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40854849
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 43017580) is 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SLMPWNFXMUCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-9-20(13-15-6-5-10-22-15)18(21)11-14-12-19-17-8-4-3-7-16(14)17/h2-8,10,12,19H,1,9,11,13H2.
What are the key properties of 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 43017580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).