(E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide

C22H25N3O4S — CID 118712702

IUPAC(E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCn1c(C)c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C22H25N3O4S/c1-3-25-16(2)19(20-6-4-5-7-21(20)25)14-15-23-30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+
InChIKeyRBNHUVFJQYAQNY-JLHYYAGUSA-N
MW427.53 g/mol
LogP3.01
Rot. Bonds8

About (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 118712702) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID118712702
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name(E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCn1c(C)c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C22H25N3O4S/c1-3-25-16(2)19(20-6-4-5-7-21(20)25)14-15-23-30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+
InChIKeyRBNHUVFJQYAQNY-JLHYYAGUSA-N
XLogP3.01
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'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)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide (CID 118712702) is (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide is CCn1c(C)c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21.
What is the InChIKey of (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RBNHUVFJQYAQNY-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-3-25-16(2)19(20-6-4-5-7-21(20)25)14-15-23-30(28,29)18-11-8-17(9-12-18)10-13-22(26)24-27/h4-13,23,27H,3,14-15H2,1-2H3,(H,24,26)/b13-10+.
What are the key properties of (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 427.53 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(1-ethyl-2-methylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 118712702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).