N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C18H15F3N4O5S — CID 4904947

IUPACN-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)NC(NC(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C18H15F3N4O5S/c19-18(20,21)17(23-14(26)12-4-2-1-3-5-12)15(27)25(16(28)24-17)10-11-6-8-13(9-7-11)31(22,29)30/h1-9H,10H2,(H,23,26)(H,24,28)(H2,22,29,30)
InChIKeyFGEWINLWCSRYDK-UHFFFAOYSA-N
MW456.40 g/mol
LogP1.07
Rot. Bonds5

About N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 4904947) has the molecular formula C18H15F3N4O5S and a molecular weight of 456.40 g/mol. Its IUPAC name is N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID4904947
Molecular FormulaC18H15F3N4O5S
Molecular Weight456.40 g/mol
Exact Mass456.07
IUPAC NameN-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)NC(NC(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1
InChIInChI=1S/C18H15F3N4O5S/c19-18(20,21)17(23-14(26)12-4-2-1-3-5-12)15(27)25(16(28)24-17)10-11-6-8-13(9-7-11)31(22,29)30/h1-9H,10H2,(H,23,26)(H,24,28)(H2,22,29,30)
InChIKeyFGEWINLWCSRYDK-UHFFFAOYSA-N
XLogP1.07
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 3836618
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-(trifluoromethyl)benzamide
CID 2010336
N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 7044627
N-[(4R)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]furan-2-carboxamide
CID 7044502
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4,5-trimethoxybenzamide
CID 2216992
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
tert-butyl N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
CID 97489697
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methylbenzenesulfonamide
CID 2216971
4-tert-butyl-N-[(4S)-2,5-dioxo-1-(2-phenylethyl)-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2223330
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2962074
N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 4904947) is N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is NS(=O)(=O)c1ccc(CN2C(=O)NC(NC(=O)c3ccccc3)(C(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is FGEWINLWCSRYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O5S/c19-18(20,21)17(23-14(26)12-4-2-1-3-5-12)15(27)25(16(28)24-17)10-11-6-8-13(9-7-11)31(22,29)30/h1-9H,10H2,(H,23,26)(H,24,28)(H2,22,29,30).
What are the key properties of N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 456.40 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-[(4-sulfamoylphenyl)methyl]-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 4904947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).