N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide

C19H22N2O5S — CID 18714977

IUPACN-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)N2c3ccccc3CC2C(=O)NO)cc1
InChIInChI=1S/C19H22N2O5S/c1-19(2,3)26-14-8-10-15(11-9-14)27(24,25)21-16-7-5-4-6-13(16)12-17(21)18(22)20-23/h4-11,17,23H,12H2,1-3H3,(H,20,22)
InChIKeyVZJWZTRZOXGHEN-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.49
Rot. Bonds4

About N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide

N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18714977) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID18714977
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCC(C)(C)Oc1ccc(S(=O)(=O)N2c3ccccc3CC2C(=O)NO)cc1
InChIInChI=1S/C19H22N2O5S/c1-19(2,3)26-14-8-10-15(11-9-14)27(24,25)21-16-7-5-4-6-13(16)12-17(21)18(22)20-23/h4-11,17,23H,12H2,1-3H3,(H,20,22)
InChIKeyVZJWZTRZOXGHEN-UHFFFAOYSA-N
XLogP2.49
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoxaline-2-carboxamide
CID 18714975
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
(2S)-N-[2-(4-tert-butylphenyl)ethyl]-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 66846126
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
(2S)-1-(4-tert-butylphenyl)sulfonyl-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]phenoxy]ethyl]-2,3-dihydroindole-2-carboxamide
CID 66846144
(2S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 41429154
(2S)-1-(4-tert-butylphenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydroindole-2-carboxamide
CID 66846545
(2S)-1-(4-tert-butylphenyl)sulfonyl-N-[(3-hydroxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 66846804
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide (CID 18714977) is N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide is CC(C)(C)Oc1ccc(S(=O)(=O)N2c3ccccc3CC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is VZJWZTRZOXGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-19(2,3)26-14-8-10-15(11-9-14)27(24,25)21-16-7-5-4-6-13(16)12-17(21)18(22)20-23/h4-11,17,23H,12H2,1-3H3,(H,20,22).
What are the key properties of N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide?
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18714977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).