1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one

C21H23NOS — CID 46232151

IUPAC1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCC(=O)c1cc2ccccc2s1)Cc1ccccc1
InChIInChI=1S/C21H23NOS/c1-16(2)22(15-17-8-4-3-5-9-17)13-12-19(23)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,16H,12-13,15H2,1-2H3
InChIKeyYIEHRVGXZQPZEO-UHFFFAOYSA-N
MW337.49 g/mol
LogP5.38
Rot. Bonds7

About 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one

1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one (PubChem CID 46232151) has the molecular formula C21H23NOS and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one
PubChem CID46232151
Molecular FormulaC21H23NOS
Molecular Weight337.49 g/mol
Exact Mass337.15
IUPAC Name1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CCC(=O)c1cc2ccccc2s1)Cc1ccccc1
InChIInChI=1S/C21H23NOS/c1-16(2)22(15-17-8-4-3-5-9-17)13-12-19(23)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,16H,12-13,15H2,1-2H3
InChIKeyYIEHRVGXZQPZEO-UHFFFAOYSA-N
XLogP5.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-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

Related Compounds

1-(1-benzothiophen-2-yl)-4-methylsulfonylbutan-1-one
CID 114965164
3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
CID 46231507
tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
CID 115590839
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
CID 114910186
[2-[benzyl(ethyl)amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate
CID 8508104
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 10155637
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one (CID 46232151) is 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one is CC(C)N(CCC(=O)c1cc2ccccc2s1)Cc1ccccc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one?
The InChIKey is YIEHRVGXZQPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NOS/c1-16(2)22(15-17-8-4-3-5-9-17)13-12-19(23)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,16H,12-13,15H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one?
1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one has a molecular weight of 337.49 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 46232151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).