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

C26H34N4O4S — CID 118712704

IUPAC(E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CC)CCn1c(C)c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C26H34N4O4S/c1-4-29(5-2)18-19-30-20(3)23(24-8-6-7-9-25(24)30)16-17-27-35(33,34)22-13-10-21(11-14-22)12-15-26(31)28-32/h6-15,27,32H,4-5,16-19H2,1-3H3,(H,28,31)/b15-12+
InChIKeyRIZOMAZFBKBGFE-NTCAYCPXSA-N
MW498.65 g/mol
LogP3.33
Rot. Bonds12

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

(E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 118712704) has the molecular formula C26H34N4O4S and a molecular weight of 498.65 g/mol. Its IUPAC name is (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID118712704
Molecular FormulaC26H34N4O4S
Molecular Weight498.65 g/mol
Exact Mass498.23
IUPAC Name(E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN(CC)CCn1c(C)c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21
InChIInChI=1S/C26H34N4O4S/c1-4-29(5-2)18-19-30-20(3)23(24-8-6-7-9-25(24)30)16-17-27-35(33,34)22-13-10-21(11-14-22)12-15-26(31)28-32/h6-15,27,32H,4-5,16-19H2,1-3H3,(H,28,31)/b15-12+
InChIKeyRIZOMAZFBKBGFE-NTCAYCPXSA-N
XLogP3.33
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide (CID 118712704) is (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide is CCN(CC)CCn1c(C)c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc21.
What is the InChIKey of (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is RIZOMAZFBKBGFE-NTCAYCPXSA-N. The full InChI is InChI=1S/C26H34N4O4S/c1-4-29(5-2)18-19-30-20(3)23(24-8-6-7-9-25(24)30)16-17-27-35(33,34)22-13-10-21(11-14-22)12-15-26(31)28-32/h6-15,27,32H,4-5,16-19H2,1-3H3,(H,28,31)/b15-12+.
What are the key properties of (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 498.65 g/mol, XLogP of 3.33, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-[1-[2-(diethylamino)ethyl]-2-methylindol-3-yl]ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 118712704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).