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

C17H18N2O4S — CID 50851245

IUPAC(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1COC(=O)N1Cc1cccs1
InChIInChI=1S/C17H18N2O4S/c1-22-15-7-3-2-5-12(15)9-18-16(20)14-11-23-17(21)19(14)10-13-6-4-8-24-13/h2-8,14H,9-11H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeySDQSVFSLFHRJLQ-AWEZNQCLSA-N
MW346.41 g/mol
LogP2.39
Rot. Bonds6

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

(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851245) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851245
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1COC(=O)N1Cc1cccs1
InChIInChI=1S/C17H18N2O4S/c1-22-15-7-3-2-5-12(15)9-18-16(20)14-11-23-17(21)19(14)10-13-6-4-8-24-13/h2-8,14H,9-11H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeySDQSVFSLFHRJLQ-AWEZNQCLSA-N
XLogP2.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(4S)-3-[(3-cyanophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851221
(4S)-3-[(2-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851806
(4S)-N-(2-aminoethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851192
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
(4S)-N-[2-(1H-imidazol-5-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851630
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
(4S)-N-(2-morpholin-4-ylethyl)-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851360
N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681294
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 86909948
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851251

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851245) is (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is COc1ccccc1CNC(=O)[C@@H]1COC(=O)N1Cc1cccs1.
What is the InChIKey of (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is SDQSVFSLFHRJLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-15-7-3-2-5-12(15)9-18-16(20)14-11-23-17(21)19(14)10-13-6-4-8-24-13/h2-8,14H,9-11H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).