3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide

C14H14ClNO2S — CID 2853923

IUPAC3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H14ClNO2S/c15-12-10-5-1-2-6-11(10)19-13(12)14(17)16-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyWXPHQFQCOBBPIO-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide (PubChem CID 2853923) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
PubChem CID2853923
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1sc2ccccc2c1Cl
InChIInChI=1S/C14H14ClNO2S/c15-12-10-5-1-2-6-11(10)19-13(12)14(17)16-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,17)
InChIKeyWXPHQFQCOBBPIO-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide (CID 2853923) is 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide is O=C(NCC1CCCO1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is WXPHQFQCOBBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-10-5-1-2-6-11(10)19-13(12)14(17)16-8-9-4-3-7-18-9/h1-2,5-6,9H,3-4,7-8H2,(H,16,17).
What are the key properties of 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2853923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).