2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride

C18H23ClN2O5S — CID 18406833

IUPAC2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
SMILESCC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(N)C(=O)NO.Cl
InChIInChI=1S/C18H22N2O5S.ClH/c1-18(2,16(19)17(21)20-22)12-26(23,24)15-10-8-14(9-11-15)25-13-6-4-3-5-7-13;/h3-11,16,22H,12,19H2,1-2H3,(H,20,21);1H
InChIKeyUMQHAEBCBFCCGD-UHFFFAOYSA-N
MW414.91 g/mol
LogP2.53
Rot. Bonds7

About 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride

2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride (PubChem CID 18406833) has the molecular formula C18H23ClN2O5S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
PubChem CID18406833
Molecular FormulaC18H23ClN2O5S
Molecular Weight414.91 g/mol
Exact Mass414.10
IUPAC Name2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
SMILESCC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(N)C(=O)NO.Cl
InChIInChI=1S/C18H22N2O5S.ClH/c1-18(2,16(19)17(21)20-22)12-26(23,24)15-10-8-14(9-11-15)25-13-6-4-3-5-7-13;/h3-11,16,22H,12,19H2,1-2H3,(H,20,21);1H
InChIKeyUMQHAEBCBFCCGD-UHFFFAOYSA-N
XLogP2.53
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 52.53
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

N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 12968522
methyl 2-[(2-chloroacetyl)amino]-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate
CID 22893204
N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 22893212
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554
N,2-dihydroxy-3,3-dimethyl-4-(2-phenoxyphenyl)sulfonylbutanamide
CID 18406828
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
CID 11741226
tert-butyl 2-[[2-[2-methyl-1-(4-phenoxyphenyl)sulfonylpropan-2-yl]oxy-2-oxoethyl]amino]acetate
CID 66916712
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
CID 59071627
N-(2-amino-2-methylpropyl)-2-phenoxypropanamide;hydrochloride
CID 119630231
4-(4-phenoxyphenyl)sulfonylbutane-2-thiol
CID 54239050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride (CID 18406833) is 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride is CC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(N)C(=O)NO.Cl.
What is the InChIKey of 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride?
The InChIKey is UMQHAEBCBFCCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S.ClH/c1-18(2,16(19)17(21)20-22)12-26(23,24)15-10-8-14(9-11-15)25-13-6-4-3-5-7-13;/h3-11,16,22H,12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride?
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride has a molecular weight of 414.91 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride is sourced from PubChem (CID 18406833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).