N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide

C21H17N3O3S2 — CID 13219373

IUPACN-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C21H17N3O3S2/c1-14(25)22-18-8-10-19(11-9-18)29(26,27)24-21-23-20(13-28-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyHFFZEHCTNVSATH-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.72
Rot. Bonds5

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

N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 13219373) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID13219373
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC NameN-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C21H17N3O3S2/c1-14(25)22-18-8-10-19(11-9-18)29(26,27)24-21-23-20(13-28-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyHFFZEHCTNVSATH-UHFFFAOYSA-N
XLogP4.72
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504634
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[6-[2-[(4-acetamidophenyl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781109
N-[4-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]phenyl]acetamide
CID 13219372
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamothioyl]acetamide
CID 17100090
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504630

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 13219373) is N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is HFFZEHCTNVSATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-14(25)22-18-8-10-19(11-9-18)29(26,27)24-21-23-20(13-28-21)17-7-6-15-4-2-3-5-16(15)12-17/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 13219373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).