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

C21H23N3O4S — CID 118712700

IUPAC(E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc2n1C
InChIInChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)24(15)2)13-14-22-29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+
InChIKeyHBBFWMSCYPNIJW-FMIVXFBMSA-N
MW413.50 g/mol
LogP2.53
Rot. Bonds7

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

(E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 118712700) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID118712700
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name(E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCc1c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc2n1C
InChIInChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)24(15)2)13-14-22-29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+
InChIKeyHBBFWMSCYPNIJW-FMIVXFBMSA-N
XLogP2.53
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.53
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-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide (CID 118712700) is (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide is Cc1c(CCNS(=O)(=O)c2ccc(/C=C/C(=O)NO)cc2)c2ccccc2n1C.
What is the InChIKey of (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is HBBFWMSCYPNIJW-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-18(19-5-3-4-6-20(19)24(15)2)13-14-22-29(27,28)17-10-7-16(8-11-17)9-12-21(25)23-26/h3-12,22,26H,13-14H2,1-2H3,(H,23,25)/b12-9+.
What are the key properties of (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 413.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(1,2-dimethylindol-3-yl)ethylsulfamoyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 118712700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).