3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide

C16H22N2OS — CID 107112841

IUPAC3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NC(C)CC(C)C)sc12
InChIInChI=1S/C16H22N2OS/c1-9(2)8-11(4)18-16(19)15-13(17)12-7-5-6-10(3)14(12)20-15/h5-7,9,11H,8,17H2,1-4H3,(H,18,19)
InChIKeyHYLOMFCHFUGGGH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.96
Rot. Bonds4

About 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 107112841) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID107112841
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cccc2c(N)c(C(=O)NC(C)CC(C)C)sc12
InChIInChI=1S/C16H22N2OS/c1-9(2)8-11(4)18-16(19)15-13(17)12-7-5-6-10(3)14(12)20-15/h5-7,9,11H,8,17H2,1-4H3,(H,18,19)
InChIKeyHYLOMFCHFUGGGH-UHFFFAOYSA-N
XLogP3.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-N-(1-cyclopropylpropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113119
3-amino-N-(1-amino-1-oxopropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112859
3-amino-N-(1,3-dihydroxypropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113207
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-7-methyl-1-benzothiophene-2-carboxamide
CID 107112937
3-amino-N,7-dimethyl-1-benzothiophene-2-carboxamide
CID 107112750
3-amino-7-methyl-N-(2-methylsulfanylpropyl)-1-benzothiophene-2-carboxamide
CID 107113570
3-amino-7-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 107113171
3-amino-N-(cyclohexylmethyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107112840
3-amino-N-(5-hydroxypentyl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107323888
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide (CID 107112841) is 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide is Cc1cccc2c(N)c(C(=O)NC(C)CC(C)C)sc12.
What is the InChIKey of 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is HYLOMFCHFUGGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-9(2)8-11(4)18-16(19)15-13(17)12-7-5-6-10(3)14(12)20-15/h5-7,9,11H,8,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).