(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide

C19H19N3O4S — CID 118712708

IUPAC(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C19H19N3O4S/c23-19(22-24)10-7-14-5-8-16(9-6-14)27(25,26)21-12-11-15-13-20-18-4-2-1-3-17(15)18/h1-10,13,20-21,24H,11-12H2,(H,22,23)/b10-7+
InChIKeyBUJPNJQQHZGAJV-JXMROGBWSA-N
MW385.45 g/mol
LogP2.21
Rot. Bonds7

About (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide (PubChem CID 118712708) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
PubChem CID118712708
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1)NO
InChIInChI=1S/C19H19N3O4S/c23-19(22-24)10-7-14-5-8-16(9-6-14)27(25,26)21-12-11-15-13-20-18-4-2-1-3-17(15)18/h1-10,13,20-21,24H,11-12H2,(H,22,23)/b10-7+
InChIKeyBUJPNJQQHZGAJV-JXMROGBWSA-N
XLogP2.21
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide (CID 118712708) is (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
The InChIKey is BUJPNJQQHZGAJV-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-19(22-24)10-7-14-5-8-16(9-6-14)27(25,26)21-12-11-15-13-20-18-4-2-1-3-17(15)18/h1-10,13,20-21,24H,11-12H2,(H,22,23)/b10-7+.
What are the key properties of (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide has a molecular weight of 385.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]prop-2-enamide is sourced from PubChem (CID 118712708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).