2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone

C14H14ClNO3S — CID 62053041

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCN(CC(=O)c1ccc(O)cc1O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO3S/c1-16(7-10-3-5-14(15)20-10)8-13(19)11-4-2-9(17)6-12(11)18/h2-6,17-18H,7-8H2,1H3
InChIKeyIFXKORBWNWMVTG-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.13
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 62053041) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID62053041
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
SMILESCN(CC(=O)c1ccc(O)cc1O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO3S/c1-16(7-10-3-5-14(15)20-10)8-13(19)11-4-2-9(17)6-12(11)18/h2-6,17-18H,7-8H2,1H3
InChIKeyIFXKORBWNWMVTG-UHFFFAOYSA-N
XLogP3.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone 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

N-[(5-chlorothiophen-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide
CID 103601272
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60676850
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(3-chlorophenyl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 60650522
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63565774
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928275
1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
CID 62050511
2-[butyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone
CID 43219653
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 62050506
1-(2,4-dihydroxyphenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429345
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62053237
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone (CID 62053041) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone is CN(CC(=O)c1ccc(O)cc1O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is IFXKORBWNWMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c1-16(7-10-3-5-14(15)20-10)8-13(19)11-4-2-9(17)6-12(11)18/h2-6,17-18H,7-8H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 311.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 62053041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).