N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide

C14H17FN2OS — CID 119522236

IUPACN-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)(C)CN)sc2ccc(F)cc12
InChIInChI=1S/C14H17FN2OS/c1-8-10-6-9(15)4-5-11(10)19-12(8)13(18)17-14(2,3)7-16/h4-6H,7,16H2,1-3H3,(H,17,18)
InChIKeyKZWMAFNYJFCMFQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.82
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide

N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 119522236) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID119522236
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)(C)CN)sc2ccc(F)cc12
InChIInChI=1S/C14H17FN2OS/c1-8-10-6-9(15)4-5-11(10)19-12(8)13(18)17-14(2,3)7-16/h4-6H,7,16H2,1-3H3,(H,17,18)
InChIKeyKZWMAFNYJFCMFQ-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]propanediamide
CID 56798549
5-fluoro-N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 97339829
5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 110902894
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119607591
N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119582221
2-[2-[(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242733
5-fluoro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 86828116
5-fluoro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119460953
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 111486185
5-fluoro-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119510947
5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60567024
N-(1-amino-2-methylpropan-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119521585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide (CID 119522236) is N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC(C)(C)CN)sc2ccc(F)cc12.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is KZWMAFNYJFCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-8-10-6-9(15)4-5-11(10)19-12(8)13(18)17-14(2,3)7-16/h4-6H,7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119522236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).