6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H19NO2S — CID 42886116

IUPAC6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)NCC1CCCO1)C2
InChIInChI=1S/C15H19NO2S/c1-10-4-5-11-8-14(19-13(11)7-10)15(17)16-9-12-3-2-6-18-12/h4-5,7,12,14H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyOOVXAVDVIVVFRV-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.31
Rot. Bonds3

About 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42886116) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42886116
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)SC(C(=O)NCC1CCCO1)C2
InChIInChI=1S/C15H19NO2S/c1-10-4-5-11-8-14(19-13(11)7-10)15(17)16-9-12-3-2-6-18-12/h4-5,7,12,14H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyOOVXAVDVIVVFRV-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42886116) is 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)SC(C(=O)NCC1CCCO1)C2.
What is the InChIKey of 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is OOVXAVDVIVVFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-4-5-11-8-14(19-13(11)7-10)15(17)16-9-12-3-2-6-18-12/h4-5,7,12,14H,2-3,6,8-9H2,1H3,(H,16,17).
What are the key properties of 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42886116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).