3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide

C15H20N2OS — CID 107932105

IUPAC3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCC(C)C)c(N)c2c1
InChIInChI=1S/C15H20N2OS/c1-9(2)6-7-17-15(18)14-13(16)11-8-10(3)4-5-12(11)19-14/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyKTDFTZYXGLFZKU-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.57
Rot. Bonds4

About 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide

3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide (PubChem CID 107932105) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
PubChem CID107932105
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2sc(C(=O)NCCC(C)C)c(N)c2c1
InChIInChI=1S/C15H20N2OS/c1-9(2)6-7-17-15(18)14-13(16)11-8-10(3)4-5-12(11)19-14/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyKTDFTZYXGLFZKU-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methyl-N-(2-methylsulfonylethyl)-1-benzothiophene-2-carboxamide
CID 107932222
3-amino-N-(4-amino-4-oxobutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932219
3-amino-N-(5-amino-5-oxopentyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 106241429
3-amino-5-methyl-N-pent-3-ynyl-1-benzothiophene-2-carboxamide
CID 107932588
3-amino-N-(2-methoxypropyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932602
3-amino-N-(2-ethylbutyl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932572
3-amino-N-(4-hydroxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932496
3-amino-N-(4-methoxybutan-2-yl)-5-methyl-1-benzothiophene-2-carboxamide
CID 107932413
3-amino-5-methyl-N-(2-thiophen-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932272
3-amino-N-[2-(ethylamino)-2-oxoethyl]-5-methyl-1-benzothiophene-2-carboxamide
CID 107932202
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932262

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide (CID 107932105) is 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide is Cc1ccc2sc(C(=O)NCCC(C)C)c(N)c2c1.
What is the InChIKey of 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KTDFTZYXGLFZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9(2)6-7-17-15(18)14-13(16)11-8-10(3)4-5-12(11)19-14/h4-5,8-9H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide?
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 107932105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).