N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide

C14H15ClN2O2S2 — CID 121180121

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOC(CNC(=O)c1cccnc1SC)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S2/c1-19-10(11-5-6-12(15)21-11)8-17-13(18)9-4-3-7-16-14(9)20-2/h3-7,10H,8H2,1-2H3,(H,17,18)
InChIKeyLQOYAJACPANJJR-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 121180121) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID121180121
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOC(CNC(=O)c1cccnc1SC)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O2S2/c1-19-10(11-5-6-12(15)21-11)8-17-13(18)9-4-3-7-16-14(9)20-2/h3-7,10H,8H2,1-2H3,(H,17,18)
InChIKeyLQOYAJACPANJJR-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 91630971
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methyl-3-nitrobenzamide
CID 121180131
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-5-nitrobenzamide
CID 121180166
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 121180121) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide is COC(CNC(=O)c1cccnc1SC)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is LQOYAJACPANJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c1-19-10(11-5-6-12(15)21-11)8-17-13(18)9-4-3-7-16-14(9)20-2/h3-7,10H,8H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 342.87 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 121180121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).