N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C20H23NO2S — CID 18114112

IUPACN-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)Cc3cccs3)c2cc1C(C)C
InChIInChI=1S/C20H23NO2S/c1-13(2)17-10-18-15(12-23-19(18)8-14(17)3)9-20(22)21(4)11-16-6-5-7-24-16/h5-8,10,12-13H,9,11H2,1-4H3
InChIKeyMDSFJWYRUJOWON-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.13
Rot. Bonds5

About N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 18114112) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID18114112
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC NameN-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)N(C)Cc3cccs3)c2cc1C(C)C
InChIInChI=1S/C20H23NO2S/c1-13(2)17-10-18-15(12-23-19(18)8-14(17)3)9-20(22)21(4)11-16-6-5-7-24-16/h5-8,10,12-13H,9,11H2,1-4H3
InChIKeyMDSFJWYRUJOWON-UHFFFAOYSA-N
XLogP5.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510652
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 18082511
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945815
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 38041694
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78770799
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 18114112) is N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1cc2occ(CC(=O)N(C)Cc3cccs3)c2cc1C(C)C.
What is the InChIKey of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MDSFJWYRUJOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-13(2)17-10-18-15(12-23-19(18)8-14(17)3)9-20(22)21(4)11-16-6-5-7-24-16/h5-8,10,12-13H,9,11H2,1-4H3.
What are the key properties of N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 18114112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).