1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone

C15H17NO2S — CID 79600580

IUPAC1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)c2cccs2)cc1O
InChIInChI=1S/C15H17NO2S/c1-10(15-5-4-8-19-15)16(3)12-6-7-13(11(2)17)14(18)9-12/h4-10,18H,1-3H3
InChIKeyGUODEUIHKOWCSP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.85
Rot. Bonds4

About 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone

1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone (PubChem CID 79600580) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
PubChem CID79600580
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)C(C)c2cccs2)cc1O
InChIInChI=1S/C15H17NO2S/c1-10(15-5-4-8-19-15)16(3)12-6-7-13(11(2)17)14(18)9-12/h4-10,18H,1-3H3
InChIKeyGUODEUIHKOWCSP-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(3-chlorophenyl)ethyl-methylamino]-2-hydroxyphenyl]ethanone
CID 79589980
2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 81276573
4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 54980639
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
methyl 2-[methyl(1-thiophen-2-ylethyl)amino]acetate
CID 60699787
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
5-methyl-2-[methyl(1-thiophen-2-ylethyl)amino]benzoic acid
CID 62516387
1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
CID 79600219
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
2-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63110194

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone (CID 79600580) is 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)C(C)c2cccs2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone?
The InChIKey is GUODEUIHKOWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10(15-5-4-8-19-15)16(3)12-6-7-13(11(2)17)14(18)9-12/h4-10,18H,1-3H3.
What are the key properties of 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone?
1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone is sourced from PubChem (CID 79600580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).