1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone

C18H15NOS — CID 159241460

IUPAC1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
SMILESNc1cccc(-c2ccc(C(=O)Cc3ccccc3)s2)c1
InChIInChI=1S/C18H15NOS/c19-15-8-4-7-14(12-15)17-9-10-18(21-17)16(20)11-13-5-2-1-3-6-13/h1-10,12H,11,19H2
InChIKeyKUDOANCBNVSRJK-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.42
Rot. Bonds4

About 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone

1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone (PubChem CID 159241460) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
PubChem CID159241460
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone
SMILESNc1cccc(-c2ccc(C(=O)Cc3ccccc3)s2)c1
InChIInChI=1S/C18H15NOS/c19-15-8-4-7-14(12-15)17-9-10-18(21-17)16(20)11-13-5-2-1-3-6-13/h1-10,12H,11,19H2
InChIKeyKUDOANCBNVSRJK-UHFFFAOYSA-N
XLogP4.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone 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

2-(3-fluorophenyl)-1-[5-(4-hydroxyphenyl)thiophen-2-yl]ethanone
CID 160514462
1-(5-pyridin-4-ylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 162208800
5-(3-aminophenyl)thiophen-2-amine
CID 117222696
2-(3-aminophenyl)acetic acid;2-phenylacetamide
CID 157497347
[5-(3-aminophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652901
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-phenylthiophene-2-carbothioate
CID 86737927
1-(2-amino-1,3-thiazol-5-yl)-2-phenylethanone
CID 159085381
1-[5-(1H-indol-5-yl)thiophen-2-yl]-2-(3-methylphenyl)ethanone
CID 157061659
3-(4-benzylpiperazin-1-yl)-1-(5-phenylthiophen-2-yl)propan-1-one;dihydrochloride
CID 10298423
1-(5-phenylthiophen-2-yl)-2-piperidin-1-ylethanone
CID 90861887
1-[5-(3-fluorophenyl)thiophen-2-yl]butan-1-one
CID 43154048

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone (CID 159241460) is 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone is Nc1cccc(-c2ccc(C(=O)Cc3ccccc3)s2)c1.
What is the InChIKey of 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone?
The InChIKey is KUDOANCBNVSRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c19-15-8-4-7-14(12-15)17-9-10-18(21-17)16(20)11-13-5-2-1-3-6-13/h1-10,12H,11,19H2.
What are the key properties of 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone?
1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone has a molecular weight of 293.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminophenyl)thiophen-2-yl]-2-phenylethanone is sourced from PubChem (CID 159241460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).