N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

C17H20N2OS — CID 90653137

IUPACN-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCc1cccc(CCNC(=O)c2scc3c2CCCC3)n1
InChIInChI=1S/C17H20N2OS/c1-12-5-4-7-14(19-12)9-10-18-17(20)16-15-8-3-2-6-13(15)11-21-16/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyYYYBFAGFKACRER-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 90653137) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID90653137
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCc1cccc(CCNC(=O)c2scc3c2CCCC3)n1
InChIInChI=1S/C17H20N2OS/c1-12-5-4-7-14(19-12)9-10-18-17(20)16-15-8-3-2-6-13(15)11-21-16/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyYYYBFAGFKACRER-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597033
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91795590
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
2-[2-(6-methyl-2-pyridinyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120662500
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2-methoxy-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
CID 90651915
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 90653137) is N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is Cc1cccc(CCNC(=O)c2scc3c2CCCC3)n1.
What is the InChIKey of N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is YYYBFAGFKACRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-5-4-7-14(19-12)9-10-18-17(20)16-15-8-3-2-6-13(15)11-21-16/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,18,20).
What are the key properties of N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2-pyridinyl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 90653137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).