3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide

C15H19BrN2OS — CID 114907910

IUPAC3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
SMILESCCCC(CC)NC(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C15H19BrN2OS/c1-3-5-10(4-2)18-15(19)14-13(17)11-7-6-9(16)8-12(11)20-14/h6-8,10H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyDGOXXEBVNVYOCU-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.55
Rot. Bonds5

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

3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 114907910) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
PubChem CID114907910
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide
SMILESCCCC(CC)NC(=O)c1sc2cc(Br)ccc2c1N
InChIInChI=1S/C15H19BrN2OS/c1-3-5-10(4-2)18-15(19)14-13(17)11-7-6-9(16)8-12(11)20-14/h6-8,10H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyDGOXXEBVNVYOCU-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-6-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114907732
3-amino-6-bromo-N-pent-4-en-2-yl-1-benzothiophene-2-carboxamide
CID 114908101
3-amino-N-(2-amino-2-oxoethyl)-6-bromo-1-benzothiophene-2-carboxamide
CID 114907674
3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907749
3-amino-6-bromo-N-[3-(ethylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 114908087
3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 114907990
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-6-bromo-N-(2-methylsulfanylethyl)-1-benzothiophene-2-carboxamide
CID 114907967
3-amino-6-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 114907911
3-amino-6-bromo-N-cyclopropyl-1-benzothiophene-2-carboxamide
CID 114907665

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide (CID 114907910) is 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide is CCCC(CC)NC(=O)c1sc2cc(Br)ccc2c1N.
What is the InChIKey of 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is DGOXXEBVNVYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-3-5-10(4-2)18-15(19)14-13(17)11-7-6-9(16)8-12(11)20-14/h6-8,10H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide?
3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-hexan-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114907910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).