phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone

C15H15NOS — CID 140983481

IUPACphenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
SMILESO=C(c1ccccc1)N1CCCCc2sccc21
InChIInChI=1S/C15H15NOS/c17-15(12-6-2-1-3-7-12)16-10-5-4-8-14-13(16)9-11-18-14/h1-3,6-7,9,11H,4-5,8,10H2
InChIKeyCKSQMBXKUTYXFW-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.73
Rot. Bonds1

About phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone

phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone (PubChem CID 140983481) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone.

Molecular Properties

Compound Namephenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
PubChem CID140983481
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Namephenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
SMILESO=C(c1ccccc1)N1CCCCc2sccc21
InChIInChI=1S/C15H15NOS/c17-15(12-6-2-1-3-7-12)16-10-5-4-8-14-13(16)9-11-18-14/h1-3,6-7,9,11H,4-5,8,10H2
InChIKeyCKSQMBXKUTYXFW-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

4-phenyl-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139710002
4-hydroxy-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139709992
2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
CID 139709980
[4-(3-methylbutoxy)phenyl]-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
CID 54386957
2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
CID 139785119
2-(2-amino-2-oxoethoxy)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139709947
(4-phenylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 67839485
3,5-dichloro-N-[3-chloro-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 57030756
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
phenyl-(3-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a][1,3]diazepin-9-yl)methanone
CID 10403985
N-[2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
CID 139750466

Frequently Asked Questions

What is the IUPAC name of phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone?
The IUPAC name of phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone (CID 140983481) is phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone.
What is the SMILES notation for phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone?
The canonical SMILES for phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone is O=C(c1ccccc1)N1CCCCc2sccc21.
What is the InChIKey of phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone?
The InChIKey is CKSQMBXKUTYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(12-6-2-1-3-7-12)16-10-5-4-8-14-13(16)9-11-18-14/h1-3,6-7,9,11H,4-5,8,10H2.
What are the key properties of phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone?
phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone has a molecular weight of 257.36 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone is sourced from PubChem (CID 140983481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).