3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide

C15H20N2OS — CID 107112763

IUPAC3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCCC(C)NC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C15H20N2OS/c1-4-6-10(3)17-15(18)14-12(16)11-8-5-7-9(2)13(11)19-14/h5,7-8,10H,4,6,16H2,1-3H3,(H,17,18)
InChIKeyDKFFRNCEUWMALV-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.71
Rot. Bonds4

About 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide

3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 107112763) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID107112763
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide
SMILESCCCC(C)NC(=O)c1sc2c(C)cccc2c1N
InChIInChI=1S/C15H20N2OS/c1-4-6-10(3)17-15(18)14-12(16)11-8-5-7-9(2)13(11)19-14/h5,7-8,10H,4,6,16H2,1-3H3,(H,17,18)
InChIKeyDKFFRNCEUWMALV-UHFFFAOYSA-N
XLogP3.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-hydroxybutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113474
3-amino-7-methyl-N-(4-methylpentan-2-yl)-1-benzothiophene-2-carboxamide
CID 107112841
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-pentan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide (CID 107112763) is 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide is CCCC(C)NC(=O)c1sc2c(C)cccc2c1N.
What is the InChIKey of 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is DKFFRNCEUWMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-6-10(3)17-15(18)14-12(16)11-8-5-7-9(2)13(11)19-14/h5,7-8,10H,4,6,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide?
3-amino-7-methyl-N-pentan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 3.71, 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-pentan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).