3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide

C15H17BrN2O2S — CID 114896565

IUPAC3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
SMILESCOC1CCCC1NC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H17BrN2O2S/c1-20-11-4-2-3-10(11)18-15(19)14-13(17)9-7-8(16)5-6-12(9)21-14/h5-7,10-11H,2-4,17H2,1H3,(H,18,19)
InChIKeyQXTVPIYXPKZUHI-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.54
Rot. Bonds3

About 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide

3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide (PubChem CID 114896565) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
PubChem CID114896565
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
SMILESCOC1CCCC1NC(=O)c1sc2ccc(Br)cc2c1N
InChIInChI=1S/C15H17BrN2O2S/c1-20-11-4-2-3-10(11)18-15(19)14-13(17)9-7-8(16)5-6-12(9)21-14/h5-7,10-11H,2-4,17H2,1H3,(H,18,19)
InChIKeyQXTVPIYXPKZUHI-UHFFFAOYSA-N
XLogP3.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-methoxycyclopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932329
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-bromo-N-(2,2-dimethylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896684
3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114896551
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 106367912
3-amino-5-bromo-N-cyclopentyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114896397
3-amino-6-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 114907665
3-amino-4-bromo-N-(2-methoxycyclopentyl)benzamide
CID 62087821
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
2-amino-N-(2-methoxycyclopentyl)benzamide
CID 62086922
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
5-bromo-N-(2-methoxycyclopentyl)-4-methylthiophene-2-carboxamide
CID 79986516

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide (CID 114896565) is 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide is COC1CCCC1NC(=O)c1sc2ccc(Br)cc2c1N.
What is the InChIKey of 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide?
The InChIKey is QXTVPIYXPKZUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-20-11-4-2-3-10(11)18-15(19)14-13(17)9-7-8(16)5-6-12(9)21-14/h5-7,10-11H,2-4,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide has a molecular weight of 369.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).