N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide

C25H30F6N4O3S — CID 4839004

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H30F6N4O3S/c1-3-35(4-2)39(37,38)20-8-9-22(34-10-6-5-7-11-34)21(15-20)32-16-23(36)33-19-13-17(24(26,27)28)12-18(14-19)25(29,30)31/h8-9,12-15,32H,3-7,10-11,16H2,1-2H3,(H,33,36)
InChIKeyUNAKNZWQTHGDBE-UHFFFAOYSA-N
MW580.60 g/mol
LogP5.80
Rot. Bonds9

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide (PubChem CID 4839004) has the molecular formula C25H30F6N4O3S and a molecular weight of 580.60 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide
PubChem CID4839004
Molecular FormulaC25H30F6N4O3S
Molecular Weight580.60 g/mol
Exact Mass580.19
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C25H30F6N4O3S/c1-3-35(4-2)39(37,38)20-8-9-22(34-10-6-5-7-11-34)21(15-20)32-16-23(36)33-19-13-17(24(26,27)28)12-18(14-19)25(29,30)31/h8-9,12-15,32H,3-7,10-11,16H2,1-2H3,(H,33,36)
InChIKeyUNAKNZWQTHGDBE-UHFFFAOYSA-N
XLogP5.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.60
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4094712
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 3967856
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
4-(azepan-1-yl)-N,N-diethyl-3-[[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]amino]benzenesulfonamide
CID 167790308
N-(4-nitrophenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615037
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 4092642
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3-(propanoylamino)benzamide
CID 55883022
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
CID 33143034
N-(3-nitrophenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 17494582
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide (CID 4839004) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(NCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide?
The InChIKey is UNAKNZWQTHGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F6N4O3S/c1-3-35(4-2)39(37,38)20-8-9-22(34-10-6-5-7-11-34)21(15-20)32-16-23(36)33-19-13-17(24(26,27)28)12-18(14-19)25(29,30)31/h8-9,12-15,32H,3-7,10-11,16H2,1-2H3,(H,33,36).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide has a molecular weight of 580.60 g/mol, XLogP of 5.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide is sourced from PubChem (CID 4839004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).