N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H19N3O2S — CID 51299013

IUPACN-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2S/c1-12(21-18(23)16-7-4-10-24-16)17(22)19-9-8-13-11-20-15-6-3-2-5-14(13)15/h2-7,10-12,20H,8-9H2,1H3,(H,19,22)(H,21,23)
InChIKeyHOXHTISRNKODMB-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.71
Rot. Bonds6

About N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51299013) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51299013
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2S/c1-12(21-18(23)16-7-4-10-24-16)17(22)19-9-8-13-11-20-15-6-3-2-5-14(13)15/h2-7,10-12,20H,8-9H2,1H3,(H,19,22)(H,21,23)
InChIKeyHOXHTISRNKODMB-UHFFFAOYSA-N
XLogP2.71
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51301479
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]thiophene-2-carboxamide
CID 24544390
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide;hydrochloride
CID 119956120
N-[2-(1H-indol-3-yl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51164019
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
CID 51301332
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51299013) is N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is HOXHTISRNKODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(21-18(23)16-7-4-10-24-16)17(22)19-9-8-13-11-20-15-6-3-2-5-14(13)15/h2-7,10-12,20H,8-9H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51299013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).