3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

C20H25NO3S — CID 47057883

IUPAC3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1cccc(CS(C)=O)c1
InChIInChI=1S/C20H25NO3S/c1-13-8-16-17(10-20(2,3)11-18(16)24-13)21-19(22)15-7-5-6-14(9-15)12-25(4)23/h5-9,17H,10-12H2,1-4H3,(H,21,22)
InChIKeyIONLAOKYAOWOJS-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.91
Rot. Bonds4

About 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (PubChem CID 47057883) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
PubChem CID47057883
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1cccc(CS(C)=O)c1
InChIInChI=1S/C20H25NO3S/c1-13-8-16-17(10-20(2,3)11-18(16)24-13)21-19(22)15-7-5-6-14(9-15)12-25(4)23/h5-9,17H,10-12H2,1-4H3,(H,21,22)
InChIKeyIONLAOKYAOWOJS-UHFFFAOYSA-N
XLogP3.91
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-nitro-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]benzamide
CID 95976044
3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
2-bromo-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 106853310
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557
4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782682
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 136580054
2-methyl-1-methylsulfonyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-2,3-dihydroindole-5-carboxamide
CID 55782810
3-phenyl-2-sulfanylidene-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-1H-imidazole-4-carboxamide
CID 51118419
1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 81179233
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55815738

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The IUPAC name of 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (CID 47057883) is 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1cccc(CS(C)=O)c1.
What is the InChIKey of 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The InChIKey is IONLAOKYAOWOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-13-8-16-17(10-20(2,3)11-18(16)24-13)21-19(22)15-7-5-6-14(9-15)12-25(4)23/h5-9,17H,10-12H2,1-4H3,(H,21,22).
What are the key properties of 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide has a molecular weight of 359.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 47057883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).