N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride

C14H18ClFN2OS — CID 119582221

IUPACN-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C(C)CN)sc2ccc(F)cc12.Cl
InChIInChI=1S/C14H17FN2OS.ClH/c1-8(7-16)17(3)14(18)13-9(2)11-6-10(15)4-5-12(11)19-13;/h4-6,8H,7,16H2,1-3H3;1H
InChIKeySAGYZRJSGJYGHX-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.19
Rot. Bonds3

About N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride

N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119582221) has the molecular formula C14H18ClFN2OS and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119582221
Molecular FormulaC14H18ClFN2OS
Molecular Weight316.83 g/mol
Exact Mass316.08
IUPAC NameN-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)N(C)C(C)CN)sc2ccc(F)cc12.Cl
InChIInChI=1S/C14H17FN2OS.ClH/c1-8(7-16)17(3)14(18)13-9(2)11-6-10(15)4-5-12(11)19-13;/h4-6,8H,7,16H2,1-3H3;1H
InChIKeySAGYZRJSGJYGHX-UHFFFAOYSA-N
XLogP3.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-5-methoxy-N,3-dimethyl-1-benzothiophene-2-carboxamide
CID 119583657
N-(3-amino-4-methylpentyl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119658286
N-(1-aminopropan-2-yl)-5-[(3-fluorobenzoyl)amino]-N,3-dimethylthiophene-2-carboxamide;hydrochloride
CID 119583984
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 119522236
2-[(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]propanediamide
CID 56798549
2-[2-[(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242733
N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
CID 86780016
N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 78844061
5-fluoro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119530599
N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119582736

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride (CID 119582221) is N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride is Cc1c(C(=O)N(C)C(C)CN)sc2ccc(F)cc12.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is SAGYZRJSGJYGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS.ClH/c1-8(7-16)17(3)14(18)13-9(2)11-6-10(15)4-5-12(11)19-13;/h4-6,8H,7,16H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride?
N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119582221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).