3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide

C14H16N2OS — CID 113486145

IUPAC3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3(C)CC3)sc2c1
InChIInChI=1S/C14H16N2OS/c1-8-3-4-9-10(7-8)18-12(11(9)15)13(17)16-14(2)5-6-14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyFGEAOLZAOPEHJO-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.07
Rot. Bonds2

About 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide

3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide (PubChem CID 113486145) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
PubChem CID113486145
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NC3(C)CC3)sc2c1
InChIInChI=1S/C14H16N2OS/c1-8-3-4-9-10(7-8)18-12(11(9)15)13(17)16-14(2)5-6-14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyFGEAOLZAOPEHJO-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 106215571
3-amino-N-but-3-en-2-yl-6-methyl-1-benzothiophene-2-carboxamide
CID 113480669
3-amino-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-benzothiophene-2-carboxamide
CID 80725640
3-amino-5-bromo-N-(1-methylcyclohexyl)-1-benzothiophene-2-carboxamide
CID 114896551
3-amino-N-[(3-hydroxycyclobutyl)methyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 66007256
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
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
3-amino-6-chloro-N-[1-(trifluoromethyl)cyclopropyl]-1-benzothiophene-2-carboxamide
CID 106215582
3-amino-N-cycloheptyl-5-methyl-1-benzothiophene-2-carboxamide
CID 107932155

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide (CID 113486145) is 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC3(C)CC3)sc2c1.
What is the InChIKey of 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is FGEAOLZAOPEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-3-4-9-10(7-8)18-12(11(9)15)13(17)16-14(2)5-6-14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide?
3-amino-6-methyl-N-(1-methylcyclopropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.07, 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-methylcyclopropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 113486145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).