2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide

C15H11BrN2O5S2 — CID 2053030

IUPAC2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O5S2/c16-9-3-5-10(6-4-9)25(20,21)14-15(24-8-12(17)19)23-13(18-14)11-2-1-7-22-11/h1-7H,8H2,(H2,17,19)
InChIKeyHVXGCYINOFQHNK-UHFFFAOYSA-N
MW443.30 g/mol
LogP3.11
Rot. Bonds6

About 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide

2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide (PubChem CID 2053030) has the molecular formula C15H11BrN2O5S2 and a molecular weight of 443.30 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide
PubChem CID2053030
Molecular FormulaC15H11BrN2O5S2
Molecular Weight443.30 g/mol
Exact Mass441.93
IUPAC Name2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O5S2/c16-9-3-5-10(6-4-9)25(20,21)14-15(24-8-12(17)19)23-13(18-14)11-2-1-7-22-11/h1-7H,8H2,(H2,17,19)
InChIKeyHVXGCYINOFQHNK-UHFFFAOYSA-N
XLogP3.11
TPSA116.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide (CID 2053030) is 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide is NC(=O)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide?
The InChIKey is HVXGCYINOFQHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O5S2/c16-9-3-5-10(6-4-9)25(20,21)14-15(24-8-12(17)19)23-13(18-14)11-2-1-7-22-11/h1-7H,8H2,(H2,17,19).
What are the key properties of 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide?
2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide has a molecular weight of 443.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 2053030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).