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

C19H21NO2S — CID 2469541

IUPAC2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)NCc3cccs3)c2cc1C(C)C
InChIInChI=1S/C19H21NO2S/c1-12(2)16-9-17-14(11-22-18(17)7-13(16)3)8-19(21)20-10-15-5-4-6-23-15/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,21)
InChIKeySFBPDXDLVQFAAQ-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.79
Rot. Bonds5

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

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2469541) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2469541
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc2occ(CC(=O)NCc3cccs3)c2cc1C(C)C
InChIInChI=1S/C19H21NO2S/c1-12(2)16-9-17-14(11-22-18(17)7-13(16)3)8-19(21)20-10-15-5-4-6-23-15/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,21)
InChIKeySFBPDXDLVQFAAQ-UHFFFAOYSA-N
XLogP4.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16437487
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16438239
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2-furylmethyl)acetamide
CID 1243461
2-[[2-(6-Methyl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 2115913
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 2957599
N-benzyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8087327
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 24816755
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(5-methyl-1-benzofuran-3-yl)-N-[4-(propan-2-yl)benzyl]acetamide
CID 2975647
N-ethyl-2-{[(5-ethyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16012928
N-(4-methoxybenzyl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
CID 16013043
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)acetamide
CID 662195
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-furylmethyl)acetamide
CID 1248644

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 2469541) is 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1cc2occ(CC(=O)NCc3cccs3)c2cc1C(C)C.
What is the InChIKey of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SFBPDXDLVQFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-12(2)16-9-17-14(11-22-18(17)7-13(16)3)8-19(21)20-10-15-5-4-6-23-15/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2469541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).