2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C20H19ClN2O6S2 — CID 3244075

IUPAC2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H19ClN2O6S2/c21-13-5-7-15(8-6-13)31(25,26)19-20(29-18(23-19)16-4-2-10-28-16)30-12-17(24)22-11-14-3-1-9-27-14/h2,4-8,10,14H,1,3,9,11-12H2,(H,22,24)
InChIKeyIPBPVQDCDXNGOI-UHFFFAOYSA-N
MW482.97 g/mol
LogP3.81
Rot. Bonds8

About 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3244075) has the molecular formula C20H19ClN2O6S2 and a molecular weight of 482.97 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3244075
Molecular FormulaC20H19ClN2O6S2
Molecular Weight482.97 g/mol
Exact Mass482.04
IUPAC Name2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1
InChIInChI=1S/C20H19ClN2O6S2/c21-13-5-7-15(8-6-13)31(25,26)19-20(29-18(23-19)16-4-2-10-28-16)30-12-17(24)22-11-14-3-1-9-27-14/h2,4-8,10,14H,1,3,9,11-12H2,(H,22,24)
InChIKeyIPBPVQDCDXNGOI-UHFFFAOYSA-N
XLogP3.81
TPSA111.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 3244075) is 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)NCC1CCCO1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IPBPVQDCDXNGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O6S2/c21-13-5-7-15(8-6-13)31(25,26)19-20(29-18(23-19)16-4-2-10-28-16)30-12-17(24)22-11-14-3-1-9-27-14/h2,4-8,10,14H,1,3,9,11-12H2,(H,22,24).
What are the key properties of 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 482.97 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3244075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).