3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide

C14H13F3N2OS — CID 106215571

IUPAC3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3(C(F)(F)F)CC3)sc2c1
InChIInChI=1S/C14H13F3N2OS/c1-7-2-3-8-9(6-7)21-11(10(8)18)12(20)19-13(4-5-13)14(15,16)17/h2-3,6H,4-5,18H2,1H3,(H,19,20)
InChIKeyNKSGAOKSNABWEH-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.62
Rot. Bonds2

About 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide

3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide (PubChem CID 106215571) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
PubChem CID106215571
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3(C(F)(F)F)CC3)sc2c1
InChIInChI=1S/C14H13F3N2OS/c1-7-2-3-8-9(6-7)21-11(10(8)18)12(20)19-13(4-5-13)14(15,16)17/h2-3,6H,4-5,18H2,1H3,(H,19,20)
InChIKeyNKSGAOKSNABWEH-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 106215582
3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 113486145
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-N-but-3-en-2-yl-6-methyl-1-benzothiophene-2-carboxamide
CID 113480669
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-benzothiophene-2-carboxamide
CID 80725640
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106174309
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-amino-6-methyl-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107298626
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
3-amino-6-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 114908150
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide (CID 106215571) is 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC3(C(F)(F)F)CC3)sc2c1.
What is the InChIKey of 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NKSGAOKSNABWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-7-2-3-8-9(6-7)21-11(10(8)18)12(20)19-13(4-5-13)14(15,16)17/h2-3,6H,4-5,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide?
3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).