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

C18H21F3N4O5S — CID 2978668

IUPACN-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C18H21F3N4O5S/c1-11(26)22-12-7-9-14(10-8-12)31(29,30)24-17(18(19,20)21)15(27)25(16(28)23-17)13-5-3-2-4-6-13/h7-10,13,24H,2-6H2,1H3,(H,22,26)(H,23,28)
InChIKeyOKKBKSOPQJAUJJ-UHFFFAOYSA-N
MW462.45 g/mol
LogP2.07
Rot. Bonds5

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

N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2978668) has the molecular formula C18H21F3N4O5S and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID2978668
Molecular FormulaC18H21F3N4O5S
Molecular Weight462.45 g/mol
Exact Mass462.12
IUPAC NameN-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C18H21F3N4O5S/c1-11(26)22-12-7-9-14(10-8-12)31(29,30)24-17(18(19,20)21)15(27)25(16(28)23-17)13-5-3-2-4-6-13/h7-10,13,24H,2-6H2,1H3,(H,22,26)(H,23,28)
InChIKeyOKKBKSOPQJAUJJ-UHFFFAOYSA-N
XLogP2.07
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide (CID 2978668) is N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is OKKBKSOPQJAUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O5S/c1-11(26)22-12-7-9-14(10-8-12)31(29,30)24-17(18(19,20)21)15(27)25(16(28)23-17)13-5-3-2-4-6-13/h7-10,13,24H,2-6H2,1H3,(H,22,26)(H,23,28).
What are the key properties of N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 462.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2978668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).