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

C18H23N3O2S — CID 166384186

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCN(C)CCOc1cc(NC(=O)c2scc3c2CCCC3)ccn1
InChIInChI=1S/C18H23N3O2S/c1-21(2)9-10-23-16-11-14(7-8-19-16)20-18(22)17-15-6-4-3-5-13(15)12-24-17/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20,22)
InChIKeyODJVEPIKLTUCAC-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.21
Rot. Bonds6

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

N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (PubChem CID 166384186) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
PubChem CID166384186
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
SMILESCN(C)CCOc1cc(NC(=O)c2scc3c2CCCC3)ccn1
InChIInChI=1S/C18H23N3O2S/c1-21(2)9-10-23-16-11-14(7-8-19-16)20-18(22)17-15-6-4-3-5-13(15)12-24-17/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20,22)
InChIKeyODJVEPIKLTUCAC-UHFFFAOYSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
CID 166268918
N-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597007
N-(4-nitrophenyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 3982635
N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597033
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 126790211
N-(1-cyanocyclobutyl)-2-[2-(dimethylamino)ethoxy]-N-methylpyridine-4-carboxamide
CID 84592772
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 134699883
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-3-carboxamide
CID 60793170
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
N-[3-chloro-4-(7-chloro-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 70063154
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462199
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide (CID 166384186) is N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is CN(C)CCOc1cc(NC(=O)c2scc3c2CCCC3)ccn1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
The InChIKey is ODJVEPIKLTUCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21(2)9-10-23-16-11-14(7-8-19-16)20-18(22)17-15-6-4-3-5-13(15)12-24-17/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide is sourced from PubChem (CID 166384186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).