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

C17H24N2O5S — CID 21347985

IUPACN-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
SMILESCc1ccc(C2(C)CCN(C(CCS(C)(=O)=O)C(=O)NO)C2=O)cc1
InChIInChI=1S/C17H24N2O5S/c1-12-4-6-13(7-5-12)17(2)9-10-19(16(17)21)14(15(20)18-22)8-11-25(3,23)24/h4-7,14,22H,8-11H2,1-3H3,(H,18,20)
InChIKeyUTJCOVHDATYGQB-UHFFFAOYSA-N
MW368.46 g/mol
LogP0.79
Rot. Bonds6

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

N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide (PubChem CID 21347985) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
PubChem CID21347985
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide
SMILESCc1ccc(C2(C)CCN(C(CCS(C)(=O)=O)C(=O)NO)C2=O)cc1
InChIInChI=1S/C17H24N2O5S/c1-12-4-6-13(7-5-12)17(2)9-10-19(16(17)21)14(15(20)18-22)8-11-25(3,23)24/h4-7,14,22H,8-11H2,1-3H3,(H,18,20)
InChIKeyUTJCOVHDATYGQB-UHFFFAOYSA-N
XLogP0.79
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-acetamido-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]hexanamide
CID 21348104
(2R)-3-(2,5-dioxopyrrolidin-1-yl)-N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54553203
[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamic acid
CID 18789361
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxoazetidin-1-yl]propanamide
CID 21347974
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-pyrrolidin-3-ylacetamide
CID 21347976
2-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 10225219
(2R)-N-hydroxy-2-[3-methyl-3-(3-methylphenyl)-2-oxopyrrolidin-1-yl]propanamide
CID 54345830
2-[3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-N-hydroxypropanamide
CID 10222382
(2S)-N-hydroxy-3-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-2-(oxan-4-yl)propanamide
CID 59093903
N-[3-[3-[4-[(2,6-dichloro-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]carbamate
CID 22456100
tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid
CID 23001604
N-hydroxy-1-[[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 21357620

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide (CID 21347985) is N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide is Cc1ccc(C2(C)CCN(C(CCS(C)(=O)=O)C(=O)NO)C2=O)cc1.
What is the InChIKey of N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide?
The InChIKey is UTJCOVHDATYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12-4-6-13(7-5-12)17(2)9-10-19(16(17)21)14(15(20)18-22)8-11-25(3,23)24/h4-7,14,22H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide?
N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide has a molecular weight of 368.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-methyl-3-(4-methylphenyl)-2-oxopyrrolidin-1-yl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 21347985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).