2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C23H24N2O5S2 — CID 4605621

IUPAC2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-16-9-11-17(12-10-16)21-25-22(32(27,28)19-7-3-2-4-8-19)23(30-21)31-15-20(26)24-14-18-6-5-13-29-18/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,24,26)
InChIKeyOGHIUFLXLCVHGC-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.87
Rot. Bonds8

About 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 4605621) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID4605621
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NCC3CCCO3)o2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-16-9-11-17(12-10-16)21-25-22(32(27,28)19-7-3-2-4-8-19)23(30-21)31-15-20(26)24-14-18-6-5-13-29-18/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,24,26)
InChIKeyOGHIUFLXLCVHGC-UHFFFAOYSA-N
XLogP3.87
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2068269
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41239088
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2068282
2-[[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51408170
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
CID 2157075
4-(benzenesulfonyl)-2-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 51664429
N-(oxolan-2-ylmethyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3178254
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92884777
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2347862
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 4605621) is 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NCC3CCCO3)o2)cc1.
What is the InChIKey of 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OGHIUFLXLCVHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-16-9-11-17(12-10-16)21-25-22(32(27,28)19-7-3-2-4-8-19)23(30-21)31-15-20(26)24-14-18-6-5-13-29-18/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,24,26).
What are the key properties of 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 4605621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).