N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide

C17H21ClN2O5S — CID 44610062

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide
SMILESCC(C)(C)c1cc(NC(=O)C(CCO)S(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H21ClN2O5S/c1-17(2,3)14-10-15(20-25-14)19-16(22)13(8-9-21)26(23,24)12-6-4-11(18)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,19,20,22)
InChIKeyQNRAVXFCSMOUSI-UHFFFAOYSA-N
MW400.88 g/mol
LogP2.79
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide (PubChem CID 44610062) has the molecular formula C17H21ClN2O5S and a molecular weight of 400.88 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide
PubChem CID44610062
Molecular FormulaC17H21ClN2O5S
Molecular Weight400.88 g/mol
Exact Mass400.09
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide
SMILESCC(C)(C)c1cc(NC(=O)C(CCO)S(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H21ClN2O5S/c1-17(2,3)14-10-15(20-25-14)19-16(22)13(8-9-21)26(23,24)12-6-4-11(18)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,19,20,22)
InChIKeyQNRAVXFCSMOUSI-UHFFFAOYSA-N
XLogP2.79
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide (CID 44610062) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide is CC(C)(C)c1cc(NC(=O)C(CCO)S(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide?
The InChIKey is QNRAVXFCSMOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O5S/c1-17(2,3)14-10-15(20-25-14)19-16(22)13(8-9-21)26(23,24)12-6-4-11(18)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide has a molecular weight of 400.88 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-chlorophenyl)sulfonyl-4-hydroxybutanamide is sourced from PubChem (CID 44610062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).