N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide

C23H24N4O4S — CID 10138922

IUPACN-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3ccc(-c4csnn4)cc3)cc2)C1=O
InChIInChI=1S/C23H24N4O4S/c1-15(21(28)25-30)27-12-11-23(2,22(27)29)18-7-9-19(10-8-18)31-13-16-3-5-17(6-4-16)20-14-32-26-24-20/h3-10,14-15,30H,11-13H2,1-2H3,(H,25,28)
InChIKeyWXMKORYSMVYFCB-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.17
Rot. Bonds7

About N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide

N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide (PubChem CID 10138922) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
PubChem CID10138922
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NO)N1CCC(C)(c2ccc(OCc3ccc(-c4csnn4)cc3)cc2)C1=O
InChIInChI=1S/C23H24N4O4S/c1-15(21(28)25-30)27-12-11-23(2,22(27)29)18-7-9-19(10-8-18)31-13-16-3-5-17(6-4-16)20-14-32-26-24-20/h3-10,14-15,30H,11-13H2,1-2H3,(H,25,28)
InChIKeyWXMKORYSMVYFCB-UHFFFAOYSA-N
XLogP3.17
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide?
The IUPAC name of N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide (CID 10138922) is N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide is CC(C(=O)NO)N1CCC(C)(c2ccc(OCc3ccc(-c4csnn4)cc3)cc2)C1=O.
What is the InChIKey of N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide?
The InChIKey is WXMKORYSMVYFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-15(21(28)25-30)27-12-11-23(2,22(27)29)18-7-9-19(10-8-18)31-13-16-3-5-17(6-4-16)20-14-32-26-24-20/h3-10,14-15,30H,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide?
N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide has a molecular weight of 452.54 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-methyl-2-oxo-3-[4-[[4-(thiadiazol-4-yl)phenyl]methoxy]phenyl]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 10138922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).