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

C22H23F6N3O3S — CID 3967856

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6N3O3S/c1-14-5-6-18(35(33,34)31-7-3-2-4-8-31)12-19(14)29-13-20(32)30-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h5-6,9-12,29H,2-4,7-8,13H2,1H3,(H,30,32)
InChIKeySGFOPNIRYPFCQV-UHFFFAOYSA-N
MW523.50 g/mol
LogP5.26
Rot. Bonds6

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

N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 3967856) has the molecular formula C22H23F6N3O3S and a molecular weight of 523.50 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID3967856
Molecular FormulaC22H23F6N3O3S
Molecular Weight523.50 g/mol
Exact Mass523.14
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6N3O3S/c1-14-5-6-18(35(33,34)31-7-3-2-4-8-31)12-19(14)29-13-20(32)30-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h5-6,9-12,29H,2-4,7-8,13H2,1H3,(H,30,32)
InChIKeySGFOPNIRYPFCQV-UHFFFAOYSA-N
XLogP5.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.50
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438440
N-(4-ethylphenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 7939475
2-(2,3-dimethylanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080862
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-(diethylsulfamoyl)-2-piperidin-1-ylanilino]acetamide
CID 4839004
2-(2,6-difluoroanilino)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 78821635
2-[2-nitro-4-(trifluoromethyl)anilino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4884990
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291
N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55345434
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(tert-butylamino)acetamide
CID 17409340
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-difluorophenyl)acetamide
CID 42067264
N-(4-methoxy-2-nitrophenyl)-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 26438465

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide (CID 3967856) is N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is SGFOPNIRYPFCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N3O3S/c1-14-5-6-18(35(33,34)31-7-3-2-4-8-31)12-19(14)29-13-20(32)30-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h5-6,9-12,29H,2-4,7-8,13H2,1H3,(H,30,32).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 523.50 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 3967856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).