2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C17H21NO4S — CID 24816755

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC3(C)CCS(=O)(=O)C3)c2cc1C
InChIInChI=1S/C17H21NO4S/c1-11-6-14-13(9-22-15(14)7-12(11)2)8-16(19)18-17(3)4-5-23(20,21)10-17/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyNKSVPPIIDRPTEB-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.29
Rot. Bonds3

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 24816755) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID24816755
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)NC3(C)CCS(=O)(=O)C3)c2cc1C
InChIInChI=1S/C17H21NO4S/c1-11-6-14-13(9-22-15(14)7-12(11)2)8-16(19)18-17(3)4-5-23(20,21)10-17/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyNKSVPPIIDRPTEB-UHFFFAOYSA-N
XLogP2.29
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2114647
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2469541
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(5-methyl-1-benzofuran-3-yl)-N-[4-(propan-2-yl)benzyl]acetamide
CID 2975647
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methoxybenzyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 16012895
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 16012950
N-(1,1-dioxidotetrahydro-3-thienyl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 2947909
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-fluorobenzyl)-2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetamide
CID 16012832
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-propoxybenzyl)acetamide
CID 16012956
N-benzyl-2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 16013005
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177679841

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 24816755) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is Cc1cc2occ(CC(=O)NC3(C)CCS(=O)(=O)C3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is NKSVPPIIDRPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11-6-14-13(9-22-15(14)7-12(11)2)8-16(19)18-17(3)4-5-23(20,21)10-17/h6-7,9H,4-5,8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 24816755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).