N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide

C13H16N4O7S — CID 18411988

IUPACN'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)N(C)C2N(O)C(=O)C(N)=O)cc1
InChIInChI=1S/C13H16N4O7S/c1-15-10(18)7-16(13(15)17(21)12(20)11(14)19)25(22,23)9-5-3-8(24-2)4-6-9/h3-6,13,21H,7H2,1-2H3,(H2,14,19)
InChIKeyTWDBCAPOQNHIGY-UHFFFAOYSA-N
MW372.36 g/mol
LogP-1.86
Rot. Bonds4

About N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide

N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide (PubChem CID 18411988) has the molecular formula C13H16N4O7S and a molecular weight of 372.36 g/mol. Its IUPAC name is N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide.

Molecular Properties

Compound NameN'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide
PubChem CID18411988
Molecular FormulaC13H16N4O7S
Molecular Weight372.36 g/mol
Exact Mass372.07
IUPAC NameN'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide
SMILESCOc1ccc(S(=O)(=O)N2CC(=O)N(C)C2N(O)C(=O)C(N)=O)cc1
InChIInChI=1S/C13H16N4O7S/c1-15-10(18)7-16(13(15)17(21)12(20)11(14)19)25(22,23)9-5-3-8(24-2)4-6-9/h3-6,13,21H,7H2,1-2H3,(H2,14,19)
InChIKeyTWDBCAPOQNHIGY-UHFFFAOYSA-N
XLogP-1.86
TPSA150.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
CID 10177120
4-butyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
CID 10200090
(2R,4S)-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)pyrrolidine-2-carboxamide
CID 10549612
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11934998
1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
1-(4-methoxyphenyl)sulfonyl-3-oxoazepane-2-carboxamide
CID 173158629
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
(2R)-3-(4-methoxyphenyl)sulfonyl-N,N,2-trimethylimidazolidine-1-carboxamide
CID 7450033
(4R)-1-tert-butyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxamide
CID 10362663
methyl (6S)-5-(4-methoxyphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745526
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide?
The IUPAC name of N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide (CID 18411988) is N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide.
What is the SMILES notation for N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide?
The canonical SMILES for N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide is COc1ccc(S(=O)(=O)N2CC(=O)N(C)C2N(O)C(=O)C(N)=O)cc1.
What is the InChIKey of N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide?
The InChIKey is TWDBCAPOQNHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O7S/c1-15-10(18)7-16(13(15)17(21)12(20)11(14)19)25(22,23)9-5-3-8(24-2)4-6-9/h3-6,13,21H,7H2,1-2H3,(H2,14,19).
What are the key properties of N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide?
N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide has a molecular weight of 372.36 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide is sourced from PubChem (CID 18411988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).