N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C22H26F3N3O3S — CID 55414677

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H26F3N3O3S/c23-22(24,25)19-5-4-6-20(13-19)32(30,31)27-15-21(29)26-14-17-7-9-18(10-8-17)16-28-11-2-1-3-12-28/h4-10,13,27H,1-3,11-12,14-16H2,(H,26,29)
InChIKeyDYAHKGCENWKHER-UHFFFAOYSA-N
MW469.53 g/mol
LogP3.29
Rot. Bonds8

About N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 55414677) has the molecular formula C22H26F3N3O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID55414677
Molecular FormulaC22H26F3N3O3S
Molecular Weight469.53 g/mol
Exact Mass469.16
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H26F3N3O3S/c23-22(24,25)19-5-4-6-20(13-19)32(30,31)27-15-21(29)26-14-17-7-9-18(10-8-17)16-28-11-2-1-3-12-28/h4-10,13,27H,1-3,11-12,14-16H2,(H,26,29)
InChIKeyDYAHKGCENWKHER-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767097
N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55407572
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548477
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
3-(benzenesulfonamido)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 18119432
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55330425
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548582
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55519807
3-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 18096859
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 55414677) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is DYAHKGCENWKHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3S/c23-22(24,25)19-5-4-6-20(13-19)32(30,31)27-15-21(29)26-14-17-7-9-18(10-8-17)16-28-11-2-1-3-12-28/h4-10,13,27H,1-3,11-12,14-16H2,(H,26,29).
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 469.53 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 55414677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).