N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide

C18H26F3N3O3S2 — CID 55667323

IUPACN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSC(F)(F)F)c1
InChIInChI=1S/C18H26F3N3O3S2/c1-3-24(4-2)29(26,27)14-8-9-16(23-10-6-5-7-11-23)15(12-14)22-17(25)13-28-18(19,20)21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,22,25)
InChIKeyCWFHDWAUMKZZMJ-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.90
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55667323) has the molecular formula C18H26F3N3O3S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55667323
Molecular FormulaC18H26F3N3O3S2
Molecular Weight453.55 g/mol
Exact Mass453.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSC(F)(F)F)c1
InChIInChI=1S/C18H26F3N3O3S2/c1-3-24(4-2)29(26,27)14-8-9-16(23-10-6-5-7-11-23)15(12-14)22-17(25)13-28-18(19,20)21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,22,25)
InChIKeyCWFHDWAUMKZZMJ-UHFFFAOYSA-N
XLogP3.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 4092642
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide
CID 4839004
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754
1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4094712
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide (CID 55667323) is N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NC(=O)CSC(F)(F)F)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is CWFHDWAUMKZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3S2/c1-3-24(4-2)29(26,27)14-8-9-16(23-10-6-5-7-11-23)15(12-14)22-17(25)13-28-18(19,20)21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 453.55 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55667323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).