N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

C17H18N2O2S — CID 51195690

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccco1
InChIInChI=1S/C17H18N2O2S/c1-19(2)13(14-7-5-9-21-14)11-18-17(20)16-10-12-6-3-4-8-15(12)22-16/h3-10,13H,11H2,1-2H3,(H,18,20)
InChIKeyLBAKZSMLLMVWDO-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.53
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 51195690) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID51195690
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccco1
InChIInChI=1S/C17H18N2O2S/c1-19(2)13(14-7-5-9-21-14)11-18-17(20)16-10-12-6-3-4-8-15(12)22-16/h3-10,13H,11H2,1-2H3,(H,18,20)
InChIKeyLBAKZSMLLMVWDO-UHFFFAOYSA-N
XLogP3.53
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 4884538
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 51162742
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-(2-chloro-4,4-dimethylpentyl)-1-benzothiophene-2-carboxamide
CID 107157129
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide (CID 51195690) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide is CN(C)C(CNC(=O)c1cc2ccccc2s1)c1ccco1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LBAKZSMLLMVWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-19(2)13(14-7-5-9-21-14)11-18-17(20)16-10-12-6-3-4-8-15(12)22-16/h3-10,13H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51195690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).