N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide

C18H24N2O3S — CID 21357685

IUPACN-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide
SMILESCc1ccc(C2(C)CCN(C3CCSCC3C(=O)NO)C2=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-12-3-5-13(6-4-12)18(2)8-9-20(17(18)22)15-7-10-24-11-14(15)16(21)19-23/h3-6,14-15,23H,7-11H2,1-2H3,(H,19,21)
InChIKeyGNZCUEVETWDHNB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.11
Rot. Bonds3

About N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide

N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide (PubChem CID 21357685) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide
PubChem CID21357685
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide
SMILESCc1ccc(C2(C)CCN(C3CCSCC3C(=O)NO)C2=O)cc1
InChIInChI=1S/C18H24N2O3S/c1-12-3-5-13(6-4-12)18(2)8-9-20(17(18)22)15-7-10-24-11-14(15)16(21)19-23/h3-6,14-15,23H,7-11H2,1-2H3,(H,19,21)
InChIKeyGNZCUEVETWDHNB-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]azetidine-2-carboxamide
CID 21357669
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-pyrrolidin-3-ylacetamide
CID 21347976
(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
CID 59093903
N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 21357620
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54553203
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
CID 21347985
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxoazetidin-1-yl]propanamide
CID 21347974
6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
CID 21348104
3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid
CID 138621589
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
(3S,7aS)-N-cyclopropyl-7a-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 7987237

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide?
The IUPAC name of N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide (CID 21357685) is N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide?
The canonical SMILES for N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide is Cc1ccc(C2(C)CCN(C3CCSCC3C(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide?
The InChIKey is GNZCUEVETWDHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-3-5-13(6-4-12)18(2)8-9-20(17(18)22)15-7-10-24-11-14(15)16(21)19-23/h3-6,14-15,23H,7-11H2,1-2H3,(H,19,21).
What are the key properties of N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide?
N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]thiane-3-carboxamide is sourced from PubChem (CID 21357685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).