1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone

C11H15Cl2NO2S — CID 62053273

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
SMILESCCCN(CCO)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-3-14(4-5-15)7-9(16)8-6-10(12)17-11(8)13/h6,15H,2-5,7H2,1H3
InChIKeyNRUAQTKWILDFBU-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.94
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone (PubChem CID 62053273) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
PubChem CID62053273
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
SMILESCCCN(CCO)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-2-3-14(4-5-15)7-9(16)8-6-10(12)17-11(8)13/h6,15H,2-5,7H2,1H3
InChIKeyNRUAQTKWILDFBU-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948907
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328
2-[(2,5-dichlorothiophen-3-yl)methyl-propylamino]acetic acid
CID 122039983
2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 107963424
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63966848
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propylamino]acetate
CID 103644943
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
CID 62053334
1-(2,5-dichlorothiophen-3-yl)nonan-1-one
CID 65450253
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
2-[butyl(2-hydroxyethyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 62051512
1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone
CID 63566126

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone (CID 62053273) is 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone is CCCN(CCO)CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
The InChIKey is NRUAQTKWILDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-2-3-14(4-5-15)7-9(16)8-6-10(12)17-11(8)13/h6,15H,2-5,7H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone has a molecular weight of 296.22 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone is sourced from PubChem (CID 62053273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).