1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone

C16H18N2OS — CID 62089817

IUPAC1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NC(C)c3ccsc3)ccc21
InChIInChI=1S/C16H18N2OS/c1-11(14-6-8-20-10-14)17-15-3-4-16-13(9-15)5-7-18(16)12(2)19/h3-4,6,8-11,17H,5,7H2,1-2H3
InChIKeyRLTDLPZTRPDIRM-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.83
Rot. Bonds3

About 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 62089817) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID62089817
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(NC(C)c3ccsc3)ccc21
InChIInChI=1S/C16H18N2OS/c1-11(14-6-8-20-10-14)17-15-3-4-16-13(9-15)5-7-18(16)12(2)19/h3-4,6,8-11,17H,5,7H2,1-2H3
InChIKeyRLTDLPZTRPDIRM-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 32633489
1-acetyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 47024535
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 45355470
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 30495442
1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 34275282
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 31010331

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone (CID 62089817) is 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(NC(C)c3ccsc3)ccc21.
What is the InChIKey of 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RLTDLPZTRPDIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11(14-6-8-20-10-14)17-15-3-4-16-13(9-15)5-7-18(16)12(2)19/h3-4,6,8-11,17H,5,7H2,1-2H3.
What are the key properties of 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 286.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 62089817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).