N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide

C11H8Cl2N2O2S — CID 60675704

IUPACN-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)CNC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c12-5-1-2-6-7(3-5)18-10(9(6)13)11(17)15-4-8(14)16/h1-3H,4H2,(H2,14,16)(H,15,17)
InChIKeyKHCWXYSYYYXNQL-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.42
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide (PubChem CID 60675704) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
PubChem CID60675704
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC NameN-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
SMILESNC(=O)CNC(=O)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C11H8Cl2N2O2S/c12-5-1-2-6-7(3-5)18-10(9(6)13)11(17)15-4-8(14)16/h1-3H,4H2,(H2,14,16)(H,15,17)
InChIKeyKHCWXYSYYYXNQL-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
N-(3-aminopropyl)-3,6-dichloro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119408040
3,6-dichloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 9120055
3,6-dichloro-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 103919460
3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)-1-benzothiophene-2-carboxamide
CID 65112198
3,6-dichloro-N-(3,3-difluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103769879
3,6-dichloro-N-[(4-sulfamoylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26585972
3,6-dichloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-benzothiophene-2-carboxamide
CID 112792900
[2-(ethylamino)-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 3962744
3,6-dichloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-benzothiophene-2-carboxamide
CID 103800775
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3,6-dichloro-N-(1-hydroxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 43418822

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide (CID 60675704) is N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide is NC(=O)CNC(=O)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
The InChIKey is KHCWXYSYYYXNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-5-1-2-6-7(3-5)18-10(9(6)13)11(17)15-4-8(14)16/h1-3H,4H2,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide has a molecular weight of 303.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3,6-dichloro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60675704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).