(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

C20H22N2O6S — CID 50851806

IUPAC(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CN1C(=O)OC[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H22N2O6S/c1-27-18-6-4-3-5-15(18)12-22-17(13-28-20(22)24)19(23)21-11-14-7-9-16(10-8-14)29(2,25)26/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyXXVDRGMJCMEEBP-KRWDZBQOSA-N
MW418.47 g/mol
LogP1.74
Rot. Bonds7

About (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851806) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851806
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CN1C(=O)OC[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H22N2O6S/c1-27-18-6-4-3-5-15(18)12-22-17(13-28-20(22)24)19(23)21-11-14-7-9-16(10-8-14)29(2,25)26/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyXXVDRGMJCMEEBP-KRWDZBQOSA-N
XLogP1.74
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-3-[(3-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851942
(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851245
(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851221
1-[(2-methoxyphenyl)methyl]-N-[(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide
CID 74227150
(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851630
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-3-[(4-cyanophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851488
(4S)-3-[(3,4-dimethoxyphenyl)methyl]-2-oxo-N-(2-pyridin-3-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851650
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
(2S)-1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95074323

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851806) is (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is COc1ccccc1CN1C(=O)OC[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is XXVDRGMJCMEEBP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-27-18-6-4-3-5-15(18)12-22-17(13-28-20(22)24)19(23)21-11-14-7-9-16(10-8-14)29(2,25)26/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).