ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate

C17H25NO5S — CID 53384061

IUPACethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO5S/c1-5-22-17(19)10-16-18(15(11-23-16)12(2)3)24(20,21)14-8-6-13(4)7-9-14/h6-9,12,15-16H,5,10-11H2,1-4H3/t15-,16+/m1/s1
InChIKeyYONAFUDXBHERPW-CVEARBPZSA-N
MW355.46 g/mol
LogP2.32
Rot. Bonds6

About ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate

ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate (PubChem CID 53384061) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate
PubChem CID53384061
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Nameethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate
SMILESCCOC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO5S/c1-5-22-17(19)10-16-18(15(11-23-16)12(2)3)24(20,21)14-8-6-13(4)7-9-14/h6-9,12,15-16H,5,10-11H2,1-4H3/t15-,16+/m1/s1
InChIKeyYONAFUDXBHERPW-CVEARBPZSA-N
XLogP2.32
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate (CID 53384061) is ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate is CCOC(=O)C[C@@H]1OC[C@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate?
The InChIKey is YONAFUDXBHERPW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-5-22-17(19)10-16-18(15(11-23-16)12(2)3)24(20,21)14-8-6-13(4)7-9-14/h6-9,12,15-16H,5,10-11H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate?
ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate has a molecular weight of 355.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]acetate is sourced from PubChem (CID 53384061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).