4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C25H25FN4O4S2 — CID 161207419

IUPAC4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H]
InChIInChI=1S/C25H23FN4O4S2.H2/c1-16-22(23(28-34-16)19-2-6-20(26)7-3-19)24(31)30-13-10-18(11-14-30)17-4-8-21(9-5-17)36(32,33)29-25-27-12-15-35-25;/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1H
InChIKeyUVUGDJQJPASWAT-UHFFFAOYSA-N
MW528.63 g/mol
LogP5.31
Rot. Bonds6

About 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 161207419) has the molecular formula C25H25FN4O4S2 and a molecular weight of 528.63 g/mol. Its IUPAC name is 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID161207419
Molecular FormulaC25H25FN4O4S2
Molecular Weight528.63 g/mol
Exact Mass528.13
IUPAC Name4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H]
InChIInChI=1S/C25H23FN4O4S2.H2/c1-16-22(23(28-34-16)19-2-6-20(26)7-3-19)24(31)30-13-10-18(11-14-30)17-4-8-21(9-5-17)36(32,33)29-25-27-12-15-35-25;/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1H
InChIKeyUVUGDJQJPASWAT-UHFFFAOYSA-N
XLogP5.31
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 161207419) is 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCC(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1.[H][H].
What is the InChIKey of 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is UVUGDJQJPASWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4S2.H2/c1-16-22(23(28-34-16)19-2-6-20(26)7-3-19)24(31)30-13-10-18(11-14-30)17-4-8-21(9-5-17)36(32,33)29-25-27-12-15-35-25;/h2-9,12,15,18H,10-11,13-14H2,1H3,(H,27,29);1H.
What are the key properties of 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 528.63 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161207419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).