N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide

C19H17N3O4S2 — CID 8504634

IUPACN-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C19H17N3O4S2/c1-12(23)15-4-3-5-17(10-15)28(25,26)22-19-21-18(11-27-19)14-6-8-16(9-7-14)20-13(2)24/h3-11H,1-2H3,(H,20,24)(H,21,22)
InChIKeyZEJJFOXPVXHKDS-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 8504634) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID8504634
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1
InChIInChI=1S/C19H17N3O4S2/c1-12(23)15-4-3-5-17(10-15)28(25,26)22-19-21-18(11-27-19)14-6-8-16(9-7-14)20-13(2)24/h3-11H,1-2H3,(H,20,24)(H,21,22)
InChIKeyZEJJFOXPVXHKDS-UHFFFAOYSA-N
XLogP3.77
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

Analyze N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide 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

N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 13219373
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
3-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8841398
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
3-(ethylsulfamoyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167522
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 46667855
N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504630
3-acetamido-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 41190009
N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide (CID 8504634) is N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1.
What is the InChIKey of N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is ZEJJFOXPVXHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-12(23)15-4-3-5-17(10-15)28(25,26)22-19-21-18(11-27-19)14-6-8-16(9-7-14)20-13(2)24/h3-11H,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 8504634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).