3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide

C15H19BrN2OS — CID 114907680

IUPAC3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C15H19BrN2OS/c1-3-7-18(8-4-2)15(19)14-13(17)11-6-5-10(16)9-12(11)20-14/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyAWFMUUHNCHNYTF-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.51
Rot. Bonds5

About 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide

3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide (PubChem CID 114907680) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
PubChem CID114907680
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
SMILESCCCN(CCC)C(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C15H19BrN2OS/c1-3-7-18(8-4-2)15(19)14-13(17)11-6-5-10(16)9-12(11)20-14/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeyAWFMUUHNCHNYTF-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-butyl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907690
3-amino-6-bromo-N-ethyl-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 114907804
3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907749
3-amino-N-(2-hydroxyethyl)-6-methoxy-N-propyl-1-benzothiophene-2-carboxamide
CID 81302007
3-amino-6-bromo-N-(5-hydroxypentyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 107207352
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674
3-amino-6-bromo-N-cyclobutyl-N-methyl-1-benzothiophene-2-carboxamide
CID 114908151
3-amino-5-bromo-N-cyclopropyl-N-propyl-1-benzothiophene-2-carboxamide
CID 114896400
3-amino-6-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 114907871
3-amino-6-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 114907933
3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 114908087
3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
CID 114907910

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide (CID 114907680) is 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide is CCCN(CCC)C(=O)c1sc2cc(Br)ccc2c1N.
What is the InChIKey of 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide?
The InChIKey is AWFMUUHNCHNYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-3-7-18(8-4-2)15(19)14-13(17)11-6-5-10(16)9-12(11)20-14/h5-6,9H,3-4,7-8,17H2,1-2H3.
What are the key properties of 3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 4.51, 5 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,N-dipropyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114907680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).