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

C13H14N2O3S — CID 122148632

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
SMILESNC(=O)COCCNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H14N2O3S/c14-12(16)7-18-6-5-15-13(17)10-8-19-11-4-2-1-3-9(10)11/h1-4,8H,5-7H2,(H2,14,16)(H,15,17)
InChIKeyOMBZAEUCMWCMNN-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.13
Rot. Bonds6

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

N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide (PubChem CID 122148632) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
PubChem CID122148632
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide
SMILESNC(=O)COCCNC(=O)c1csc2ccccc12
InChIInChI=1S/C13H14N2O3S/c14-12(16)7-18-6-5-15-13(17)10-8-19-11-4-2-1-3-9(10)11/h1-4,8H,5-7H2,(H2,14,16)(H,15,17)
InChIKeyOMBZAEUCMWCMNN-UHFFFAOYSA-N
XLogP1.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
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-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(4-chloropentyl)-1-benzothiophene-3-carboxamide
CID 114147435
2-[2-amino-2-(1-benzothiophen-3-yl)ethoxy]acetamide
CID 61328580
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
CID 17173127
N-(2,2-diethoxyethyl)-1-benzothiophene-3-carboxamide
CID 112723140

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide (CID 122148632) is N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide is NC(=O)COCCNC(=O)c1csc2ccccc12.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide?
The InChIKey is OMBZAEUCMWCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c14-12(16)7-18-6-5-15-13(17)10-8-19-11-4-2-1-3-9(10)11/h1-4,8H,5-7H2,(H2,14,16)(H,15,17).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 122148632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).