6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride

C15H16Cl3N3O3S — CID 69450421

IUPAC6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCl.NCCOc1c(Cl)cc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1Cl
InChIInChI=1S/C15H15Cl2N3O3S.ClH/c16-8-5-7-9(13(19)21)15(20-14(22)6-1-2-6)24-12(7)10(17)11(8)23-4-3-18;/h5-6H,1-4,18H2,(H2,19,21)(H,20,22);1H
InChIKeyADCVTMZTGOPVSV-UHFFFAOYSA-N
MW424.74 g/mol
LogP3.41
Rot. Bonds6

About 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride

6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride (PubChem CID 69450421) has the molecular formula C15H16Cl3N3O3S and a molecular weight of 424.74 g/mol. Its IUPAC name is 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
PubChem CID69450421
Molecular FormulaC15H16Cl3N3O3S
Molecular Weight424.74 g/mol
Exact Mass423.00
IUPAC Name6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride
SMILESCl.NCCOc1c(Cl)cc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1Cl
InChIInChI=1S/C15H15Cl2N3O3S.ClH/c16-8-5-7-9(13(19)21)15(20-14(22)6-1-2-6)24-12(7)10(17)11(8)23-4-3-18;/h5-6H,1-4,18H2,(H2,19,21)(H,20,22);1H
InChIKeyADCVTMZTGOPVSV-UHFFFAOYSA-N
XLogP3.41
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.74
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

2-acetamido-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 118975317
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11233555
2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 59014232
2-(cyclopropanecarbonylamino)-6-methyl-1-benzothiophene-3-carboxamide
CID 11380311
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
sodium 2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetate
CID 88620129
2-[2-(3-carbamoyl-2,4,6-trichlorophenoxy)ethoxy]acetic acid
CID 19848354
2-[[4-[[acetyl(2-methylbutan-2-yl)amino]methyl]benzoyl]amino]-5,7-dichloro-6-hydroxy-1-benzothiophene-3-carboxamide
CID 130426648
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 55377693
2-[(3,5-dichloro-4-heptoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18848966

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride?
The IUPAC name of 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride (CID 69450421) is 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride is Cl.NCCOc1c(Cl)cc2c(C(N)=O)c(NC(=O)C3CC3)sc2c1Cl.
What is the InChIKey of 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride?
The InChIKey is ADCVTMZTGOPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S.ClH/c16-8-5-7-9(13(19)21)15(20-14(22)6-1-2-6)24-12(7)10(17)11(8)23-4-3-18;/h5-6H,1-4,18H2,(H2,19,21)(H,20,22);1H.
What are the key properties of 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride?
6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride has a molecular weight of 424.74 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethoxy)-5,7-dichloro-2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 69450421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).