N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide

C15H16N2O2S — CID 2738672

IUPACN-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1csc2ccccc12
InChIInChI=1S/C15H16N2O2S/c18-14(17-12-6-3-4-8-16-15(12)19)11-9-20-13-7-2-1-5-10(11)13/h1-2,5,7,9,12H,3-4,6,8H2,(H,16,19)(H,17,18)
InChIKeyZNUGQOVZFSHZEH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.30
Rot. Bonds2

About N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide

N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide (PubChem CID 2738672) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide
PubChem CID2738672
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1csc2ccccc12
InChIInChI=1S/C15H16N2O2S/c18-14(17-12-6-3-4-8-16-15(12)19)11-9-20-13-7-2-1-5-10(11)13/h1-2,5,7,9,12H,3-4,6,8H2,(H,16,19)(H,17,18)
InChIKeyZNUGQOVZFSHZEH-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide (CID 2738672) is N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide is O=C(NC1CCCCNC1=O)c1csc2ccccc12.
What is the InChIKey of N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is ZNUGQOVZFSHZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(17-12-6-3-4-8-16-15(12)19)11-9-20-13-7-2-1-5-10(11)13/h1-2,5,7,9,12H,3-4,6,8H2,(H,16,19)(H,17,18).
What are the key properties of N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide?
N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 2738672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).