3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide

C18H21NO6S — CID 22732218

IUPAC3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)CC(C)(O)C(=O)NO)cc2)cc1C
InChIInChI=1S/C18H21NO6S/c1-12-4-5-15(10-13(12)2)25-14-6-8-16(9-7-14)26(23,24)11-18(3,21)17(20)19-22/h4-10,21-22H,11H2,1-3H3,(H,19,20)
InChIKeyHGSYAZIRJBKOMU-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.13
Rot. Bonds6

About 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide

3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide (PubChem CID 22732218) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide
PubChem CID22732218
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide
SMILESCc1ccc(Oc2ccc(S(=O)(=O)CC(C)(O)C(=O)NO)cc2)cc1C
InChIInChI=1S/C18H21NO6S/c1-12-4-5-15(10-13(12)2)25-14-6-8-16(9-7-14)26(23,24)11-18(3,21)17(20)19-22/h4-10,21-22H,11H2,1-3H3,(H,19,20)
InChIKeyHGSYAZIRJBKOMU-UHFFFAOYSA-N
XLogP2.13
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.13
H-Bond Donors ≤ 53
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

2-[[4-(3,4-dimethylphenoxy)phenyl]sulfonylmethyl]-N,2,3-trihydroxypropanamide
CID 22624068
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
CID 157174733
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate
CID 66916712
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
methyl 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate
CID 22893204
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide?
The IUPAC name of 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide (CID 22732218) is 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide.
What is the SMILES notation for 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide?
The canonical SMILES for 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide is Cc1ccc(Oc2ccc(S(=O)(=O)CC(C)(O)C(=O)NO)cc2)cc1C.
What is the InChIKey of 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide?
The InChIKey is HGSYAZIRJBKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-12-4-5-15(10-13(12)2)25-14-6-8-16(9-7-14)26(23,24)11-18(3,21)17(20)19-22/h4-10,21-22H,11H2,1-3H3,(H,19,20).
What are the key properties of 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide?
3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide has a molecular weight of 379.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethylphenoxy)phenyl]sulfonyl-N,2-dihydroxy-2-methylpropanamide is sourced from PubChem (CID 22732218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).