N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride

C17H24ClFN2OS — CID 119660562

IUPACN-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)CCC(N)C(C)C)sc2cccc(F)c12.Cl
InChIInChI=1S/C17H23FN2OS.ClH/c1-10(2)13(19)8-9-20(4)17(21)16-11(3)15-12(18)6-5-7-14(15)22-16;/h5-7,10,13H,8-9,19H2,1-4H3;1H
InChIKeyYFGCNZBEUFOTRJ-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.22
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119660562) has the molecular formula C17H24ClFN2OS and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119660562
Molecular FormulaC17H24ClFN2OS
Molecular Weight358.91 g/mol
Exact Mass358.13
IUPAC NameN-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)CCC(N)C(C)C)sc2cccc(F)c12.Cl
InChIInChI=1S/C17H23FN2OS.ClH/c1-10(2)13(19)8-9-20(4)17(21)16-11(3)15-12(18)6-5-7-14(15)22-16;/h5-7,10,13H,8-9,19H2,1-4H3;1H
InChIKeyYFGCNZBEUFOTRJ-UHFFFAOYSA-N
XLogP4.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride (CID 119660562) is N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride is Cc1c(C(=O)N(C)CCC(N)C(C)C)sc2cccc(F)c12.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is YFGCNZBEUFOTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS.ClH/c1-10(2)13(19)8-9-20(4)17(21)16-11(3)15-12(18)6-5-7-14(15)22-16;/h5-7,10,13H,8-9,19H2,1-4H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119660562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).