(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H21NO4S — CID 51932993

IUPAC(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C19H21NO4S/c1-13(14-8-10-16(11-9-14)25(3,22)23)20(2)19(21)18-12-15-6-4-5-7-17(15)24-18/h4-11,13,18H,12H2,1-3H3/t13-,18-/m1/s1
InChIKeyRDBRYINCKFBKDM-FZKQIMNGSA-N
MW359.45 g/mol
LogP2.61
Rot. Bonds4

About (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51932993) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51932993
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C19H21NO4S/c1-13(14-8-10-16(11-9-14)25(3,22)23)20(2)19(21)18-12-15-6-4-5-7-17(15)24-18/h4-11,13,18H,12H2,1-3H3/t13-,18-/m1/s1
InChIKeyRDBRYINCKFBKDM-FZKQIMNGSA-N
XLogP2.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51932993) is (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RDBRYINCKFBKDM-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13(14-8-10-16(11-9-14)25(3,22)23)20(2)19(21)18-12-15-6-4-5-7-17(15)24-18/h4-11,13,18H,12H2,1-3H3/t13-,18-/m1/s1.
What are the key properties of (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51932993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).