2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide

C11H8Cl2N2O3S — CID 118975317

IUPAC2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESCC(=O)Nc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O
InChIInChI=1S/C11H8Cl2N2O3S/c1-3(16)15-11-6(10(14)18)4-2-5(12)8(17)7(13)9(4)19-11/h2,17H,1H3,(H2,14,18)(H,15,16)
InChIKeyNNVNMIKLGNRPIF-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.97
Rot. Bonds2

About 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide

2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide (PubChem CID 118975317) has the molecular formula C11H8Cl2N2O3S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
PubChem CID118975317
Molecular FormulaC11H8Cl2N2O3S
Molecular Weight319.17 g/mol
Exact Mass317.96
IUPAC Name2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
SMILESCC(=O)Nc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O
InChIInChI=1S/C11H8Cl2N2O3S/c1-3(16)15-11-6(10(14)18)4-2-5(12)8(17)7(13)9(4)19-11/h2,17H,1H3,(H2,14,18)(H,15,16)
InChIKeyNNVNMIKLGNRPIF-UHFFFAOYSA-N
XLogP2.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
CID 145365471
5,7-dichloro-6-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]-1-benzothiophene-3-carboxamide
CID 130406524
5,7-dichloro-2-[(3-chloro-4-fluorophenyl)carbamoylamino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 118975311
2-[[4-[[acetyl(2-methylbutan-2-yl)amino]methyl]benzoyl]amino]-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 130426648
6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
CID 69450421
5,7-difluoro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide
CID 145365458
7-chloro-2-[(3-fluorobenzoyl)amino]-6-hydroxy-1-benzothiophene-3-carboxamide
CID 69449677
N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969
6-hydroxy-2-[(4-methylphenyl)carbamoylamino]-1-benzothiophene-3-carboxamide
CID 11210016
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11233555
2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2850359
2-[(2,3,6-trichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19171118

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide (CID 118975317) is 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide is CC(=O)Nc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.
What is the InChIKey of 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide?
The InChIKey is NNVNMIKLGNRPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S/c1-3(16)15-11-6(10(14)18)4-2-5(12)8(17)7(13)9(4)19-11/h2,17H,1H3,(H2,14,18)(H,15,16).
What are the key properties of 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide?
2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide has a molecular weight of 319.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 118975317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).