N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

C22H29N3O3S — CID 72690429

IUPACN-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NCCCNc2ccccc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-14-11-19(12-15-21)13-16-22(26)24-18-8-17-23-20-9-6-5-7-10-20/h5-7,9-16,23H,3-4,8,17-18H2,1-2H3,(H,24,26)
InChIKeyHPJJPGNBOJMRNB-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.35
Rot. Bonds11

About N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide

N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 72690429) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID72690429
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NCCCNc2ccccc2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-14-11-19(12-15-21)13-16-22(26)24-18-8-17-23-20-9-6-5-7-10-20/h5-7,9-16,23H,3-4,8,17-18H2,1-2H3,(H,24,26)
InChIKeyHPJJPGNBOJMRNB-UHFFFAOYSA-N
XLogP3.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.35
H-Bond Donors ≤ 52
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'}

Analyze N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-phenylsulfanylpropyl)prop-2-enamide
CID 26352530
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 78780942
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 24641034
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1314257
3-[4-(diethylsulfamoyl)phenyl]-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618954
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
(2-anilino-2-oxoethyl) (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2579080
3-[4-(diethylsulfamoyl)phenyl]-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]prop-2-enamide
CID 55706454
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-sulfamoylphenyl)prop-2-enamide
CID 24640586
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 26591286
(E)-N-[(2R)-butan-2-yl]-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 8712954
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-ethyl-N-phenylprop-2-enamide
CID 16558543

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide (CID 72690429) is N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is CCN(CC)S(=O)(=O)c1ccc(C=CC(=O)NCCCNc2ccccc2)cc1.
What is the InChIKey of N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is HPJJPGNBOJMRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-25(4-2)29(27,28)21-14-11-19(12-15-21)13-16-22(26)24-18-8-17-23-20-9-6-5-7-10-20/h5-7,9-16,23H,3-4,8,17-18H2,1-2H3,(H,24,26).
What are the key properties of N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide?
N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 415.56 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 72690429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).