1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone

C16H14ClNO2S — CID 62050511

IUPAC1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)Cc1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO2S/c1-18(8-11-6-7-16(17)21-11)9-14(19)13-10-20-15-5-3-2-4-12(13)15/h2-7,10H,8-9H2,1H3
InChIKeyFLDZRVAEOWLMIH-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.46
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone

1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone (PubChem CID 62050511) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
PubChem CID62050511
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1coc2ccccc12)Cc1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO2S/c1-18(8-11-6-7-16(17)21-11)9-14(19)13-10-20-15-5-3-2-4-12(13)15/h2-7,10H,8-9H2,1H3
InChIKeyFLDZRVAEOWLMIH-UHFFFAOYSA-N
XLogP4.46
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethanone
CID 62050875
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4-dihydroxyphenyl)ethanone
CID 62053041
1-(1-benzofuran-3-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794594
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60676850
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2,4,6-trimethylphenyl)ethanone
CID 63565774
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
1-(1-benzofuran-3-yl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795122
1-(1-benzofuran-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051384
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(4-ethoxyphenyl)ethanone
CID 62053237

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone (CID 62050511) is 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone is CN(CC(=O)c1coc2ccccc12)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone?
The InChIKey is FLDZRVAEOWLMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-18(8-11-6-7-16(17)21-11)9-14(19)13-10-20-15-5-3-2-4-12(13)15/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone?
1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone has a molecular weight of 319.81 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone is sourced from PubChem (CID 62050511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).