N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide

C16H23N3O6S — CID 139845074

IUPACN-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C)(C)C(=O)N(C)C2CC(=O)NO)cc1
InChIInChI=1S/C16H23N3O6S/c1-16(2)10-19(14(9-13(20)17-22)18(3)15(16)21)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,14,22H,9-10H2,1-4H3,(H,17,20)
InChIKeyZHRXTTKWHVNABV-UHFFFAOYSA-N
MW385.44 g/mol
LogP0.41
Rot. Bonds5

About N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide

N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide (PubChem CID 139845074) has the molecular formula C16H23N3O6S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide
PubChem CID139845074
Molecular FormulaC16H23N3O6S
Molecular Weight385.44 g/mol
Exact Mass385.13
IUPAC NameN-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC(C)(C)C(=O)N(C)C2CC(=O)NO)cc1
InChIInChI=1S/C16H23N3O6S/c1-16(2)10-19(14(9-13(20)17-22)18(3)15(16)21)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,14,22H,9-10H2,1-4H3,(H,17,20)
InChIKeyZHRXTTKWHVNABV-UHFFFAOYSA-N
XLogP0.41
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(4S)-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 15296581
4-butyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-3-oxopiperazine-2-carboxamide
CID 90726149
4-butyl-N-hydroxy-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxamide
CID 10200090
(3S,6R)-N-hydroxy-6-(methoxymethoxy)-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,4-thiazepane-3-carboxamide
CID 10812742
(4R)-1-tert-butyl-N-hydroxy-3-(4-methoxyphenyl)sulfonyl-6-oxo-1,3-diazinane-4-carboxamide
CID 10362663
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-pentan-2-ylamino]acetamide
CID 4224
(3aS,4R,7R,7aR)-N,7-dihydroxy-5-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-4-carboxamide
CID 58866164
N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2,5,5-trimethyl-1,3-thiazolidine-2-carboxamide
CID 15895613
7-(methoxymethyl)-2-(4-methoxyphenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155866783
(3S)-N,6-dihydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-1,1-dioxo-1,4-thiazepane-3-carboxamide
CID 101400915
N'-hydroxy-N'-[1-(4-methoxyphenyl)sulfonyl-3-methyl-4-oxoimidazolidin-2-yl]oxamide
CID 18411988
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide?
The IUPAC name of N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide (CID 139845074) is N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide is COc1ccc(S(=O)(=O)N2CC(C)(C)C(=O)N(C)C2CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide?
The InChIKey is ZHRXTTKWHVNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6S/c1-16(2)10-19(14(9-13(20)17-22)18(3)15(16)21)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,14,22H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide?
N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide has a molecular weight of 385.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[1-(4-methoxyphenyl)sulfonyl-3,5,5-trimethyl-4-oxo-1,3-diazinan-2-yl]acetamide is sourced from PubChem (CID 139845074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).