2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide

C24H25ClN2O4S2 — CID 2157075

IUPAC2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(SCC(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C24H25ClN2O4S2/c1-16-7-9-17(10-8-16)22-27-23(33(29,30)20-13-11-18(25)12-14-20)24(31-22)32-15-21(28)26-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,26,28)
InChIKeyXMTDJUBQPYNIGM-UHFFFAOYSA-N
MW505.06 g/mol
LogP5.68
Rot. Bonds7

About 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide

2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide (PubChem CID 2157075) has the molecular formula C24H25ClN2O4S2 and a molecular weight of 505.06 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
PubChem CID2157075
Molecular FormulaC24H25ClN2O4S2
Molecular Weight505.06 g/mol
Exact Mass504.09
IUPAC Name2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(SCC(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C24H25ClN2O4S2/c1-16-7-9-17(10-8-16)22-27-23(33(29,30)20-13-11-18(25)12-14-20)24(31-22)32-15-21(28)26-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,26,28)
InChIKeyXMTDJUBQPYNIGM-UHFFFAOYSA-N
XLogP5.68
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.06
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide with MolForge

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Related Compounds

2-[[4-(4-bromophenyl)sulfonyl-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide
CID 4087670
4-(4-chlorophenyl)sulfonyl-5-ethylsulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 2157080
2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4605621
4-(4-bromophenyl)sulfonyl-2-(4-chlorophenyl)-N-cyclohexyl-1,3-oxazol-5-amine
CID 4704846
2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157069
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2347862
N-cyclohexyl-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1152807
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide
CID 7688752
4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-5-methylsulfonyl-1,3-oxazole
CID 167344246
5-[(2S)-butan-2-yl]sulfanyl-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2157014

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide (CID 2157075) is 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide is Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(SCC(=O)NC3CCCCC3)o2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide?
The InChIKey is XMTDJUBQPYNIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S2/c1-16-7-9-17(10-8-16)22-27-23(33(29,30)20-13-11-18(25)12-14-20)24(31-22)32-15-21(28)26-19-5-3-2-4-6-19/h7-14,19H,2-6,15H2,1H3,(H,26,28).
What are the key properties of 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide?
2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide has a molecular weight of 505.06 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 2157075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).