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

C16H19BrN2OS — CID 114896551

IUPAC3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
SMILESCC1(NC(=O)c2sc3ccc(Br)cc3c2N)CCCCC1
InChIInChI=1S/C16H19BrN2OS/c1-16(7-3-2-4-8-16)19-15(20)14-13(18)11-9-10(17)5-6-12(11)21-14/h5-6,9H,2-4,7-8,18H2,1H3,(H,19,20)
InChIKeyJFQIXUWCIQCLTO-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.70
Rot. Bonds2

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

3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide (PubChem CID 114896551) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
PubChem CID114896551
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
SMILESCC1(NC(=O)c2sc3ccc(Br)cc3c2N)CCCCC1
InChIInChI=1S/C16H19BrN2OS/c1-16(7-3-2-4-8-16)19-15(20)14-13(18)11-9-10(17)5-6-12(11)21-14/h5-6,9H,2-4,7-8,18H2,1H3,(H,19,20)
InChIKeyJFQIXUWCIQCLTO-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-bromo-N-(2,2-dimethylcyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896684
3-amino-5-bromo-N-cyclopentyl-1-benzothiophene-2-carboxamide
CID 114896323
3-amino-5-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896388
3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 113486145
3-amino-5-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114896733
3-amino-5-bromo-N-(2-methoxycyclopentyl)-1-benzothiophene-2-carboxamide
CID 114896565
3-amino-5-bromo-1-benzothiophene-2-carboxamide
CID 59656640
3-amino-5-bromo-N-[2-(dimethylamino)propyl]-1-benzothiophene-2-carboxamide
CID 114896555
(3-amino-5-bromo-1-benzothiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 114896311
3-amino-6-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 114908150
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106357993
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide (CID 114896551) is 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide is CC1(NC(=O)c2sc3ccc(Br)cc3c2N)CCCCC1.
What is the InChIKey of 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
The InChIKey is JFQIXUWCIQCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-16(7-3-2-4-8-16)19-15(20)14-13(18)11-9-10(17)5-6-12(11)21-14/h5-6,9H,2-4,7-8,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide?
3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide has a molecular weight of 367.31 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 114896551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).