2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C15H15NO2S — CID 44782557

IUPAC2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NCc3cccs3)ccc2O1
InChIInChI=1S/C15H15NO2S/c1-10-7-12-8-11(4-5-14(12)18-10)15(17)16-9-13-3-2-6-19-13/h2-6,8,10H,7,9H2,1H3,(H,16,17)
InChIKeyBSQMNNMXJHDAOK-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 44782557) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID44782557
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC1Cc2cc(C(=O)NCc3cccs3)ccc2O1
InChIInChI=1S/C15H15NO2S/c1-10-7-12-8-11(4-5-14(12)18-10)15(17)16-9-13-3-2-6-19-13/h2-6,8,10H,7,9H2,1H3,(H,16,17)
InChIKeyBSQMNNMXJHDAOK-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
(3-ethylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79985945
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4800684
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
CID 3468963
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092
N-[3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 41095511
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91793022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 44782557) is 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CC1Cc2cc(C(=O)NCc3cccs3)ccc2O1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is BSQMNNMXJHDAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-7-12-8-11(4-5-14(12)18-10)15(17)16-9-13-3-2-6-19-13/h2-6,8,10H,7,9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44782557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).