N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide

C17H16N2OS2 — CID 86885243

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCCc2csc3ccccc23)cn1
InChIInChI=1S/C17H16N2OS2/c1-21-16-7-6-12(10-19-16)17(20)18-9-8-13-11-22-15-5-3-2-4-14(13)15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyIZYXZABLCQXENS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide

N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 86885243) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
PubChem CID86885243
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccc(C(=O)NCCc2csc3ccccc23)cn1
InChIInChI=1S/C17H16N2OS2/c1-21-16-7-6-12(10-19-16)17(20)18-9-8-13-11-22-15-5-3-2-4-14(13)15/h2-7,10-11H,8-9H2,1H3,(H,18,20)
InChIKeyIZYXZABLCQXENS-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 112837108
N-[[2-(hydroxymethyl)phenyl]methyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929877
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 112837119
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
methyl 5-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]thiophene-2-carboxylate
CID 87020534
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
N-[2-(1-benzothiophen-3-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 87005686
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide (CID 86885243) is N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide is CSc1ccc(C(=O)NCCc2csc3ccccc23)cn1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is IZYXZABLCQXENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-21-16-7-6-12(10-19-16)17(20)18-9-8-13-11-22-15-5-3-2-4-14(13)15/h2-7,10-11H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 86885243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).