N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide

C13H16N2OS — CID 13058563

IUPACN-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)CCNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-15(2)8-7-14-13(16)11-9-17-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyLCELKYNLCHTVTN-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 13058563) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID13058563
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
SMILESCN(C)CCNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H16N2OS/c1-15(2)8-7-14-13(16)11-9-17-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3,(H,14,16)
InChIKeyLCELKYNLCHTVTN-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
CID 114008448
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
CID 122148632
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
4-amino-N-[2-(dimethylamino)ethyl]naphthalene-1-carboxamide
CID 164662948
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
N-[(E)-4-chlorobut-2-enyl]-1-benzothiophene-3-carboxamide
CID 81430199

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide (CID 13058563) is N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide is CN(C)CCNC(=O)c1csc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is LCELKYNLCHTVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15(2)8-7-14-13(16)11-9-17-12-6-4-3-5-10(11)12/h3-6,9H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 13058563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).