8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one

C16H15NO2S — CID 104525377

IUPAC8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCc1ccc(C(=O)c2ccc3c(c2)C(=O)NCCC3)s1
InChIInChI=1S/C16H15NO2S/c1-10-4-7-14(20-10)15(18)12-6-5-11-3-2-8-17-16(19)13(11)9-12/h4-7,9H,2-3,8H2,1H3,(H,17,19)
InChIKeyNKRKMQIYWUCPGM-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.96
Rot. Bonds2

About 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one

8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one (PubChem CID 104525377) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one.

Molecular Properties

Compound Name8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
PubChem CID104525377
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one
SMILESCc1ccc(C(=O)c2ccc3c(c2)C(=O)NCCC3)s1
InChIInChI=1S/C16H15NO2S/c1-10-4-7-14(20-10)15(18)12-6-5-11-3-2-8-17-16(19)13(11)9-12/h4-7,9H,2-3,8H2,1H3,(H,17,19)
InChIKeyNKRKMQIYWUCPGM-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The IUPAC name of 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one (CID 104525377) is 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one.
What is the SMILES notation for 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The canonical SMILES for 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one is Cc1ccc(C(=O)c2ccc3c(c2)C(=O)NCCC3)s1.
What is the InChIKey of 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
The InChIKey is NKRKMQIYWUCPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-10-4-7-14(20-10)15(18)12-6-5-11-3-2-8-17-16(19)13(11)9-12/h4-7,9H,2-3,8H2,1H3,(H,17,19).
What are the key properties of 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one?
8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one has a molecular weight of 285.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylthiophene-2-carbonyl)-2,3,4,5-tetrahydro-2-benzazepin-1-one is sourced from PubChem (CID 104525377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).