N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide

C19H23N3O5S — CID 22985853

IUPACN-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide
SMILESCN1CN(C)CC(C(=O)NO)(S(=O)(=O)c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H23N3O5S/c1-21-12-19(18(23)20-24,13-22(2)14-21)28(25,26)17-10-6-9-16(11-17)27-15-7-4-3-5-8-15/h3-11,24H,12-14H2,1-2H3,(H,20,23)
InChIKeyUDSQDYZJIZVRPX-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.33
Rot. Bonds5

About N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide

N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide (PubChem CID 22985853) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide
PubChem CID22985853
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide
SMILESCN1CN(C)CC(C(=O)NO)(S(=O)(=O)c2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C19H23N3O5S/c1-21-12-19(18(23)20-24,13-22(2)14-21)28(25,26)17-10-6-9-16(11-17)27-15-7-4-3-5-8-15/h3-11,24H,12-14H2,1-2H3,(H,20,23)
InChIKeyUDSQDYZJIZVRPX-UHFFFAOYSA-N
XLogP1.33
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.33
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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Related Compounds

tert-butyl 4-(hydroxycarbamoyl)-4-(3-phenoxyphenyl)sulfonylpiperidine-1-carboxylate
CID 22985992
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
4-[3-[[3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]benzoic acid
CID 118179857
N-hydroxy-3-[3-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118179839
1-[4-(3-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidin-4-yl]ethanone
CID 59966526
N,1-dihydroxy-2-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 142640881
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734
N-hydroxy-4-(4-phenoxyphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxamide
CID 11561492
1-O-tert-butyl 4-O-ethyl 4-(3-phenoxyphenyl)sulfonylpiperidine-1,4-dicarboxylate
CID 22985962
N-hydroxy-3-[4-[3-(methylcarbamoyl)phenoxy]phenyl]sulfonyl-8-azaspiro[4.5]decane-3-carboxamide
CID 118734984
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-8-phenyl-8-azaspiro[4.5]decane-3-carboxamide
CID 72948809

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide?
The IUPAC name of N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide (CID 22985853) is N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide.
What is the SMILES notation for N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide?
The canonical SMILES for N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide is CN1CN(C)CC(C(=O)NO)(S(=O)(=O)c2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide?
The InChIKey is UDSQDYZJIZVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-21-12-19(18(23)20-24,13-22(2)14-21)28(25,26)17-10-6-9-16(11-17)27-15-7-4-3-5-8-15/h3-11,24H,12-14H2,1-2H3,(H,20,23).
What are the key properties of N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide?
N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1,3-dimethyl-5-(3-phenoxyphenyl)sulfonyl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 22985853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).