5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one

C15H16BrNOS — CID 116570893

IUPAC5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
SMILESNC(CCC(=O)Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C15H16BrNOS/c16-13-8-9-19-15(13)10-12(18)6-7-14(17)11-4-2-1-3-5-11/h1-5,8-9,14H,6-7,10,17H2
InChIKeyXWWFCOQIVOXNOL-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.10
Rot. Bonds6

About 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one

5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one (PubChem CID 116570893) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
PubChem CID116570893
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one
SMILESNC(CCC(=O)Cc1sccc1Br)c1ccccc1
InChIInChI=1S/C15H16BrNOS/c16-13-8-9-19-15(13)10-12(18)6-7-14(17)11-4-2-1-3-5-11/h1-5,8-9,14H,6-7,10,17H2
InChIKeyXWWFCOQIVOXNOL-UHFFFAOYSA-N
XLogP4.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-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-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 62828798
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518
5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 116570826
3-(3-bromothiophen-2-yl)-2-phenylpropanoic acid
CID 65430568
1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954901
4-amino-1,4-diphenylbutan-1-one
CID 116570833
5-amino-1-(2,3-dichlorophenyl)-5-phenylpentan-2-one
CID 107311348
3-bromo-2-(3-bromo-3-phenylpropyl)thiophene
CID 63471406
4-(3-bromothiophen-2-yl)-2-phenylbutan-1-amine
CID 81010701
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
1-(3-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092784
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one?
The IUPAC name of 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one (CID 116570893) is 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one.
What is the SMILES notation for 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one?
The canonical SMILES for 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one is NC(CCC(=O)Cc1sccc1Br)c1ccccc1.
What is the InChIKey of 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one?
The InChIKey is XWWFCOQIVOXNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c16-13-8-9-19-15(13)10-12(18)6-7-14(17)11-4-2-1-3-5-11/h1-5,8-9,14H,6-7,10,17H2.
What are the key properties of 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one?
5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one has a molecular weight of 338.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-bromothiophen-2-yl)-5-phenylpentan-2-one is sourced from PubChem (CID 116570893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).