2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

C20H27N3O6S2 — CID 24978951

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C20H27N3O6S2/c1-4-28-19-6-5-16(31(25,26)23-7-9-27-10-8-23)11-18(19)21-20(24)13-30-12-17-14(2)22-29-15(17)3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,21,24)
InChIKeyIPKZTNVDOCTXAD-UHFFFAOYSA-N
MW469.59 g/mol
LogP2.58
Rot. Bonds9

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 24978951) has the molecular formula C20H27N3O6S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID24978951
Molecular FormulaC20H27N3O6S2
Molecular Weight469.59 g/mol
Exact Mass469.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C20H27N3O6S2/c1-4-28-19-6-5-16(31(25,26)23-7-9-27-10-8-23)11-18(19)21-20(24)13-30-12-17-14(2)22-29-15(17)3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,21,24)
InChIKeyIPKZTNVDOCTXAD-UHFFFAOYSA-N
XLogP2.58
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 24978951) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is IPKZTNVDOCTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S2/c1-4-28-19-6-5-16(31(25,26)23-7-9-27-10-8-23)11-18(19)21-20(24)13-30-12-17-14(2)22-29-15(17)3/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,21,24).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 469.59 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 24978951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).