3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

C16H18N2OS — CID 103313099

IUPAC3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCCc1cccs1
InChIInChI=1S/C16H18N2OS/c19-16-15(17-10-9-13-5-3-11-20-13)8-7-12-4-1-2-6-14(12)18-16/h1-6,11,15,17H,7-10H2,(H,18,19)
InChIKeyBAPAHWLPMGENGH-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.83
Rot. Bonds4

About 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103313099) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103313099
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1Nc2ccccc2CCC1NCCc1cccs1
InChIInChI=1S/C16H18N2OS/c19-16-15(17-10-9-13-5-3-11-20-13)8-7-12-4-1-2-6-14(12)18-16/h1-6,11,15,17H,7-10H2,(H,18,19)
InChIKeyBAPAHWLPMGENGH-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 42569123
2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 42649730
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]propanamide
CID 103313171
3-(5-hydroxypentylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107317427
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313304
3-(3-ethoxypropylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313115
3-(hex-5-ynylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 106211618
3-(pyridin-4-ylmethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313133
3-(2-butoxyethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313208
3-[2-(2-methylpropoxy)ethylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313556
3-(2-chloroprop-2-enylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313500

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103313099) is 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1Nc2ccccc2CCC1NCCc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is BAPAHWLPMGENGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16-15(17-10-9-13-5-3-11-20-13)8-7-12-4-1-2-6-14(12)18-16/h1-6,11,15,17H,7-10H2,(H,18,19).
What are the key properties of 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 286.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103313099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).