N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide

C12H11ClN2O2S — CID 71969648

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cn1)c1ccsc1
InChIInChI=1S/C12H11ClN2O2S/c13-10-1-2-11(15-7-10)17-5-4-14-12(16)9-3-6-18-8-9/h1-3,6-8H,4-5H2,(H,14,16)
InChIKeyHNPWLWSXHGCMOD-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.61
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide (PubChem CID 71969648) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
PubChem CID71969648
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cn1)c1ccsc1
InChIInChI=1S/C12H11ClN2O2S/c13-10-1-2-11(15-7-10)17-5-4-14-12(16)9-3-6-18-8-9/h1-3,6-8H,4-5H2,(H,14,16)
InChIKeyHNPWLWSXHGCMOD-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
CID 129392827
2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropanamide
CID 119900750
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-(2,6-dichloro-4-hydroxyphenoxy)propyl]thiophene-3-carboxamide
CID 22006893
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455576
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide
CID 120504371
3-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504370
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
CID 119900741
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylpropan-1-amine
CID 115876783
(2S)-2-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-methylpentanamide;dihydrochloride
CID 119900805
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide (CID 71969648) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide is O=C(NCCOc1ccc(Cl)cn1)c1ccsc1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide?
The InChIKey is HNPWLWSXHGCMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-10-1-2-11(15-7-10)17-5-4-14-12(16)9-3-6-18-8-9/h1-3,6-8H,4-5H2,(H,14,16).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71969648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).