2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one

C13H12ClNOS — CID 116563850

IUPAC2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H12ClNOS/c1-13(15,9-5-3-2-4-6-9)12(16)10-7-8-11(14)17-10/h2-8H,15H2,1H3
InChIKeyNDUHGOSKQSJSNF-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.46
Rot. Bonds3

About 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one

2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one (PubChem CID 116563850) has the molecular formula C13H12ClNOS and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
PubChem CID116563850
Molecular FormulaC13H12ClNOS
Molecular Weight265.77 g/mol
Exact Mass265.03
IUPAC Name2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
SMILESCC(N)(C(=O)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C13H12ClNOS/c1-13(15,9-5-3-2-4-6-9)12(16)10-7-8-11(14)17-10/h2-8H,15H2,1H3
InChIKeyNDUHGOSKQSJSNF-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chlorothiophen-2-yl)-2,2,3-trimethylbutan-1-one
CID 116573539
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
2,2,2-trichloro-1-(5-chlorothiophen-2-yl)ethanone
CID 131075408
2-amino-1-(5-chlorothiophen-2-yl)-2-methylpentan-1-one
CID 116556943
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-phenylpropanamide
CID 62488935
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethyl-3-oxopropanoate
CID 116919231
2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
CID 68637832
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
2-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylpropan-1-one
CID 106763962
2-anilino-1-(5-chlorothiophen-2-yl)ethanone
CID 82119570

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one (CID 116563850) is 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one is CC(N)(C(=O)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one?
The InChIKey is NDUHGOSKQSJSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS/c1-13(15,9-5-3-2-4-6-9)12(16)10-7-8-11(14)17-10/h2-8H,15H2,1H3.
What are the key properties of 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one?
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one has a molecular weight of 265.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 116563850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).