2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C21H23NO4S — CID 26399304

IUPAC2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CC2CC2)C3)cc1
InChIInChI=1S/C21H23NO4S/c1-27(24,25)18-9-7-15(8-10-18)19-4-2-3-16-12-17(26-21(16)19)13-22-20(23)11-14-5-6-14/h2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyAMDMMEGIUJSVMA-QGZVFWFLSA-N
MW385.49 g/mol
LogP2.98
Rot. Bonds6

About 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 26399304) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID26399304
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CC2CC2)C3)cc1
InChIInChI=1S/C21H23NO4S/c1-27(24,25)18-9-7-15(8-10-18)19-4-2-3-16-12-17(26-21(16)19)13-22-20(23)11-14-5-6-14/h2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyAMDMMEGIUJSVMA-QGZVFWFLSA-N
XLogP2.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 45188090
N-[[(2S)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 42379330
N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42376938
2-(3-oxo-1,2-dihydroisoindol-1-yl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45185758
2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]-N-[[(2R)-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 42163523
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
3,3-dimethyl-N-[[(2R)-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
CID 26359145
N-[(7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45251136
2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26351632
N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide
CID 42330235
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
4-[2-[[3-(furan-2-yl)propanoylamino]methyl]-2,3-dihydro-1-benzofuran-7-yl]benzamide
CID 45195210

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 26399304) is 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)CC2CC2)C3)cc1.
What is the InChIKey of 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is AMDMMEGIUJSVMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-27(24,25)18-9-7-15(8-10-18)19-4-2-3-16-12-17(26-21(16)19)13-22-20(23)11-14-5-6-14/h2-4,7-10,14,17H,5-6,11-13H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 26399304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).