6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H23NOS — CID 20881801

IUPAC6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(C)CCNC(=O)c1csc2c1CCC(C)C2
InChIInChI=1S/C15H23NOS/c1-10(2)6-7-16-15(17)13-9-18-14-8-11(3)4-5-12(13)14/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyUAUGAYFQRKUAOE-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.65
Rot. Bonds4

About 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 20881801) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID20881801
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(C)CCNC(=O)c1csc2c1CCC(C)C2
InChIInChI=1S/C15H23NOS/c1-10(2)6-7-16-15(17)13-9-18-14-8-11(3)4-5-12(13)14/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyUAUGAYFQRKUAOE-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 20881801) is 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC(C)CCNC(=O)c1csc2c1CCC(C)C2.
What is the InChIKey of 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is UAUGAYFQRKUAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-10(2)6-7-16-15(17)13-9-18-14-8-11(3)4-5-12(13)14/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 265.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 20881801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).