3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide

C15H18N2O2S — CID 107113606

IUPAC3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NC3(C)CCOC3)sc12
InChIInChI=1S/C15H18N2O2S/c1-9-4-3-5-10-11(16)13(20-12(9)10)14(18)17-15(2)6-7-19-8-15/h3-5H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyMBPXAIWRRUWVRM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107113606) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide
PubChem CID107113606
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NC3(C)CCOC3)sc12
InChIInChI=1S/C15H18N2O2S/c1-9-4-3-5-10-11(16)13(20-12(9)10)14(18)17-15(2)6-7-19-8-15/h3-5H,6-8,16H2,1-2H3,(H,17,18)
InChIKeyMBPXAIWRRUWVRM-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-(2-methylcyclopropyl)-1-benzothiophene-2-carboxamide
CID 107113001
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
CID 107112763
3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474
3-amino-7-methyl-N-[(5-methylfuran-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107113004
3-amino-7-methyl-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112796
3-amino-N-(1-amino-1-oxopropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112859
3-amino-7-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 107112989
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-amino-N-cyclohex-3-en-1-yl-7-methyl-1-benzothiophene-2-carboxamide
CID 107113235

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide (CID 107113606) is 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NC3(C)CCOC3)sc12.
What is the InChIKey of 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is MBPXAIWRRUWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-4-3-5-10-11(16)13(20-12(9)10)14(18)17-15(2)6-7-19-8-15/h3-5H,6-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-(3-methyloxolan-3-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107113606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).