N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide

C15H19NO3S — CID 112723140

IUPACN-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
SMILESCCOC(CNC(=O)c1csc2ccccc12)OCC
InChIInChI=1S/C15H19NO3S/c1-3-18-14(19-4-2)9-16-15(17)12-10-20-13-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyVXVYHFLWAKUPCI-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.03
Rot. Bonds7

About N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide

N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide (PubChem CID 112723140) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
PubChem CID112723140
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
SMILESCCOC(CNC(=O)c1csc2ccccc12)OCC
InChIInChI=1S/C15H19NO3S/c1-3-18-14(19-4-2)9-16-15(17)12-10-20-13-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyVXVYHFLWAKUPCI-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-(2,2-diethoxyethyl)-1H-indole-3-carboxamide
CID 79547180
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-(1-benzothiophen-3-ylmethyl)-2,2-diethoxyethanamine
CID 66977939
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
ethyl 1-benzothiophene-3-carboxylate
CID 898679
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
1-(1-benzothiophen-3-yl)-1-ethoxypropan-2-one
CID 83225093

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide (CID 112723140) is N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide is CCOC(CNC(=O)c1csc2ccccc12)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide?
The InChIKey is VXVYHFLWAKUPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-3-18-14(19-4-2)9-16-15(17)12-10-20-13-8-6-5-7-11(12)13/h5-8,10,14H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide?
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 112723140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).