N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide

C21H24N2O4S — CID 1370866

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15(24)23-28(26,27)19-12-10-18(11-13-19)22-20(25)14-7-16-5-8-17(9-6-16)21(2,3)4/h5-14H,1-4H3,(H,22,25)(H,23,24)
InChIKeyFQOPFDVAXIFHQH-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide

N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide (PubChem CID 1370866) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide
PubChem CID1370866
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O4S/c1-15(24)23-28(26,27)19-12-10-18(11-13-19)22-20(25)14-7-16-5-8-17(9-6-16)21(2,3)4/h5-14H,1-4H3,(H,22,25)(H,23,24)
InChIKeyFQOPFDVAXIFHQH-UHFFFAOYSA-N
XLogP3.46
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)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)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552104
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-N-(4-tert-butylphenyl)-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 6139845
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1290295
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
3-(4-tert-butylphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1317013
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6261465

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide (CID 1370866) is N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide?
The InChIKey is FQOPFDVAXIFHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15(24)23-28(26,27)19-12-10-18(11-13-19)22-20(25)14-7-16-5-8-17(9-6-16)21(2,3)4/h5-14H,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide?
N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide has a molecular weight of 400.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 1370866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).