2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide

C11H15Cl2NO2S — CID 103919609

IUPAC2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
SMILESO=C(NCCCCCCO)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c12-9-7-8(10(13)17-9)11(16)14-5-3-1-2-4-6-15/h7,15H,1-6H2,(H,14,16)
InChIKeyCBDXVDNVZZXWDL-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.34
Rot. Bonds7

About 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide

2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide (PubChem CID 103919609) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
PubChem CID103919609
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
SMILESO=C(NCCCCCCO)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H15Cl2NO2S/c12-9-7-8(10(13)17-9)11(16)14-5-3-1-2-4-6-15/h7,15H,1-6H2,(H,14,16)
InChIKeyCBDXVDNVZZXWDL-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide
CID 106306811
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
2-chloro-N-(6-hydroxyhexyl)-4,5-dimethylbenzamide
CID 110028260
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288
2,5-dichloro-N-(2,3-dihydroxypropyl)thiophene-3-carboxamide
CID 103825906
2-bromo-4-chloro-N-(5-hydroxypentyl)benzamide
CID 107342949
N-[(3E)-3-amino-3-hydroxyiminopropyl]-2,5-dichlorothiophene-3-carboxamide
CID 107965178
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide (CID 103919609) is 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide is O=C(NCCCCCCO)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide?
The InChIKey is CBDXVDNVZZXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c12-9-7-8(10(13)17-9)11(16)14-5-3-1-2-4-6-15/h7,15H,1-6H2,(H,14,16).
What are the key properties of 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide?
2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide has a molecular weight of 296.22 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide is sourced from PubChem (CID 103919609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).