N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C13H19NOS — CID 6623035

IUPACN-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCC(C)NC(=O)c1csc2c1CCCC2
InChIInChI=1S/C13H19NOS/c1-3-9(2)14-13(15)11-8-16-12-7-5-4-6-10(11)12/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyIYWMJYGFKXJQJC-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.16
Rot. Bonds3

About N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 6623035) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID6623035
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCCC(C)NC(=O)c1csc2c1CCCC2
InChIInChI=1S/C13H19NOS/c1-3-9(2)14-13(15)11-8-16-12-7-5-4-6-10(11)12/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyIYWMJYGFKXJQJC-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 6623035) is N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CCC(C)NC(=O)c1csc2c1CCCC2.
What is the InChIKey of N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is IYWMJYGFKXJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-9(2)14-13(15)11-8-16-12-7-5-4-6-10(11)12/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 6623035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).