N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide

C20H23N3O4S — CID 38826839

IUPACN-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-2-23-28(26,27)18-11-8-16(9-12-18)10-13-19(24)21-14-15-22-20(25)17-6-4-3-5-7-17/h3-13,23H,2,14-15H2,1H3,(H,21,24)(H,22,25)/b13-10+
InChIKeyRFSATBZZYKGCIP-JLHYYAGUSA-N
MW401.49 g/mol
LogP1.54
Rot. Bonds9

About N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide

N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 38826839) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
PubChem CID38826839
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O4S/c1-2-23-28(26,27)18-11-8-16(9-12-18)10-13-19(24)21-14-15-22-20(25)17-6-4-3-5-7-17/h3-13,23H,2,14-15H2,1H3,(H,21,24)(H,22,25)/b13-10+
InChIKeyRFSATBZZYKGCIP-JLHYYAGUSA-N
XLogP1.54
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
3-fluoro-4-methyl-N-[2-[[(E)-3-[4-(methylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide
CID 33329912
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-propylprop-2-enamide
CID 35743980
3-fluoro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108574693
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
3-[4-(benzylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 5176366
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
4-[[(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoyl]sulfamoyl]benzoic acid
CID 10230505
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide (CID 38826839) is N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide is CCNS(=O)(=O)c1ccc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is RFSATBZZYKGCIP-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-2-23-28(26,27)18-11-8-16(9-12-18)10-13-19(24)21-14-15-22-20(25)17-6-4-3-5-7-17/h3-13,23H,2,14-15H2,1H3,(H,21,24)(H,22,25)/b13-10+.
What are the key properties of N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide?
N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-[4-(ethylsulfamoyl)phenyl]prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 38826839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).