N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide

C15H17BrFNOS — CID 107157762

IUPACN-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(C)CC(Br)CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17BrFNOS/c1-9(2)5-11(16)8-18-15(19)14-6-10-3-4-12(17)7-13(10)20-14/h3-4,6-7,9,11H,5,8H2,1-2H3,(H,18,19)
InChIKeyYUUJBHPAMGHHGM-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.58
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 107157762) has the molecular formula C15H17BrFNOS and a molecular weight of 358.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID107157762
Molecular FormulaC15H17BrFNOS
Molecular Weight358.28 g/mol
Exact Mass357.02
IUPAC NameN-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCC(C)CC(Br)CNC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17BrFNOS/c1-9(2)5-11(16)8-18-15(19)14-6-10-3-4-12(17)7-13(10)20-14/h3-4,6-7,9,11H,5,8H2,1-2H3,(H,18,19)
InChIKeyYUUJBHPAMGHHGM-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600
N-(2,3-dihydroxypropyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104594
6-fluoro-N-[2-(propan-2-ylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 81105182
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104472
6-fluoro-N-(2-hydroxy-3-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 81104803
N-(5-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 106157587
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
2-(6-fluoro-1-benzothiophene-2-carbonyl)-4-methylpentanenitrile
CID 81104727
N-(2-amino-2-sulfanylideneethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104448
6-fluoro-N-(3-iodopropyl)-1-benzothiophene-2-carboxamide
CID 114503955
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-one
CID 115788013
5-fluoro-N-[2-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 120830486

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 107157762) is N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide is CC(C)CC(Br)CNC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is YUUJBHPAMGHHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNOS/c1-9(2)5-11(16)8-18-15(19)14-6-10-3-4-12(17)7-13(10)20-14/h3-4,6-7,9,11H,5,8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 358.28 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107157762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).