2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C16H29F3N4O3S — CID 78876950

IUPAC2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C16H29F3N4O3S/c1-13(15(24)20-12-16(17,18)19)22-8-10-23(11-9-22)27(25,26)21(2)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,20,24)
InChIKeyHUXXZDVVZQEWOR-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.18
Rot. Bonds6

About 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78876950) has the molecular formula C16H29F3N4O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78876950
Molecular FormulaC16H29F3N4O3S
Molecular Weight414.49 g/mol
Exact Mass414.19
IUPAC Name2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C16H29F3N4O3S/c1-13(15(24)20-12-16(17,18)19)22-8-10-23(11-9-22)27(25,26)21(2)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,20,24)
InChIKeyHUXXZDVVZQEWOR-UHFFFAOYSA-N
XLogP1.18
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 78876950) is 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HUXXZDVVZQEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N4O3S/c1-13(15(24)20-12-16(17,18)19)22-8-10-23(11-9-22)27(25,26)21(2)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78876950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).