N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide

C14H13Cl2NO3S — CID 22006893

IUPACN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccsc1
InChIInChI=1S/C14H13Cl2NO3S/c15-11-6-10(18)7-12(16)13(11)20-4-1-3-17-14(19)9-2-5-21-8-9/h2,5-8,18H,1,3-4H2,(H,17,19)
InChIKeyZILFACKXLRZWHH-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.96
Rot. Bonds6

About N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide

N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide (PubChem CID 22006893) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
PubChem CID22006893
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccsc1
InChIInChI=1S/C14H13Cl2NO3S/c15-11-6-10(18)7-12(16)13(11)20-4-1-3-17-14(19)9-2-5-21-8-9/h2,5-8,18H,1,3-4H2,(H,17,19)
InChIKeyZILFACKXLRZWHH-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-4-(trifluoromethyl)benzamide
CID 23218369
N-[3-(2-chloro-4-hydroxy-6-methylphenoxy)propyl]benzamide
CID 22006815
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
CID 71969648
N-[4-(2,6-dichloro-4-hydroxyphenoxy)butyl]pyrazine-2-carboxamide
CID 22006886
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 22006727
N-[9-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]nonyl]thiophene-3-carboxamide
CID 171471382
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]thiophene-3-carboxamide
CID 34573533
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoic acid
CID 119177555

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide (CID 22006893) is N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide is O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccsc1.
What is the InChIKey of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide?
The InChIKey is ZILFACKXLRZWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c15-11-6-10(18)7-12(16)13(11)20-4-1-3-17-14(19)9-2-5-21-8-9/h2,5-8,18H,1,3-4H2,(H,17,19).
What are the key properties of N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide?
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide has a molecular weight of 346.24 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 22006893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).