2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide

C11H15Cl2NO2S — CID 111447072

IUPAC2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-6(3-7(2)15)5-14-11(16)8-4-9(12)17-10(8)13/h4,6-7,15H,3,5H2,1-2H3,(H,14,16)
InChIKeyBXXQRRQVGPNCID-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.19
Rot. Bonds5

About 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide

2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide (PubChem CID 111447072) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
PubChem CID111447072
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-6(3-7(2)15)5-14-11(16)8-4-9(12)17-10(8)13/h4,6-7,15H,3,5H2,1-2H3,(H,14,16)
InChIKeyBXXQRRQVGPNCID-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylbutyl)-2,5-dichlorothiophene-3-carboxamide
CID 107966173
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorothiophene-3-carboxamide
CID 103872680
5-bromo-2-hydroxy-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111662219
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
CID 111540038
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111447865

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide (CID 111447072) is 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide is CC(O)CC(C)CNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide?
The InChIKey is BXXQRRQVGPNCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-6(3-7(2)15)5-14-11(16)8-4-9(12)17-10(8)13/h4,6-7,15H,3,5H2,1-2H3,(H,14,16).
What are the key properties of 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide has a molecular weight of 296.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-hydroxy-2-methylpentyl)thiophene-3-carboxamide is sourced from PubChem (CID 111447072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).