N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide

C19H17F3N4O6S — CID 2965073

IUPACN-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N2C(=O)NC(NS(=O)(=O)c3ccc(NC(C)=O)cc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H17F3N4O6S/c1-11(27)23-12-3-9-15(10-4-12)33(30,31)25-18(19(20,21)22)16(28)26(17(29)24-18)13-5-7-14(32-2)8-6-13/h3-10,25H,1-2H3,(H,23,27)(H,24,29)
InChIKeyTXXUFSPMSAVBGO-UHFFFAOYSA-N
MW486.43 g/mol
LogP1.95
Rot. Bonds6

About N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2965073) has the molecular formula C19H17F3N4O6S and a molecular weight of 486.43 g/mol. Its IUPAC name is N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID2965073
Molecular FormulaC19H17F3N4O6S
Molecular Weight486.43 g/mol
Exact Mass486.08
IUPAC NameN-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(N2C(=O)NC(NS(=O)(=O)c3ccc(NC(C)=O)cc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H17F3N4O6S/c1-11(27)23-12-3-9-15(10-4-12)33(30,31)25-18(19(20,21)22)16(28)26(17(29)24-18)13-5-7-14(32-2)8-6-13/h3-10,25H,1-2H3,(H,23,27)(H,24,29)
InChIKeyTXXUFSPMSAVBGO-UHFFFAOYSA-N
XLogP1.95
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
N-(4-methoxyphenyl)-4-({[(3-methylbutanoyl)amino]carbothioyl}amino)benzenesulfonamide
CID 1792017
N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2884143
3-(4-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10545533
3-(3-Methoxy-benzenesulfonyl)-1-phenyl-imidazolidine-2,4-dione
CID 10736348
N-(2-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372216
N-(4-methoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372219
N-(4-butoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372868
N-[4-(difluoromethoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53373004
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,2-dimethylpropanamide
CID 2962337
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (CID 2965073) is N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is COc1ccc(N2C(=O)NC(NS(=O)(=O)c3ccc(NC(C)=O)cc3)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is TXXUFSPMSAVBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O6S/c1-11(27)23-12-3-9-15(10-4-12)33(30,31)25-18(19(20,21)22)16(28)26(17(29)24-18)13-5-7-14(32-2)8-6-13/h3-10,25H,1-2H3,(H,23,27)(H,24,29).
What are the key properties of N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 486.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2965073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).