3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide

C15H19BrN2OS — CID 114907749

IUPAC3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
SMILESCCC(C)N(CC)C(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C15H19BrN2OS/c1-4-9(3)18(5-2)15(19)14-13(17)11-7-6-10(16)8-12(11)20-14/h6-9H,4-5,17H2,1-3H3
InChIKeyUVDSMTNEDOFRBX-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.51
Rot. Bonds4

About 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide

3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide (PubChem CID 114907749) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
PubChem CID114907749
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
SMILESCCC(C)N(CC)C(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C15H19BrN2OS/c1-4-9(3)18(5-2)15(19)14-13(17)11-7-6-10(16)8-12(11)20-14/h6-9H,4-5,17H2,1-3H3
InChIKeyUVDSMTNEDOFRBX-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
3-amino-6-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 114907871
3-amino-6-bromo-N-ethyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 114907804
3-amino-6-bromo-N-butyl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907690
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3-amino-5-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 114896524
3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114908151
3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
CID 114907910
3-amino-6-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114907732
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-5-bromo-N-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896531

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide (CID 114907749) is 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide is CCC(C)N(CC)C(=O)c1sc2cc(Br)ccc2c1N.
What is the InChIKey of 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide?
The InChIKey is UVDSMTNEDOFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-4-9(3)18(5-2)15(19)14-13(17)11-7-6-10(16)8-12(11)20-14/h6-9H,4-5,17H2,1-3H3.
What are the key properties of 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114907749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).