2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H23F3N2O4S — CID 52516208

IUPAC2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC1CCN(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O4S/c1-12-7-9-22(10-8-12)27(24,25)11-16(23)21-13(2)14-3-5-15(6-4-14)26-17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyKNDPNERAJILFDF-ZDUSSCGKSA-N
MW408.44 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 52516208) has the molecular formula C17H23F3N2O4S and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID52516208
Molecular FormulaC17H23F3N2O4S
Molecular Weight408.44 g/mol
Exact Mass408.13
IUPAC Name2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC1CCN(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O4S/c1-12-7-9-22(10-8-12)27(24,25)11-16(23)21-13(2)14-3-5-15(6-4-14)26-17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,23)/t13-/m0/s1
InChIKeyKNDPNERAJILFDF-ZDUSSCGKSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 52516209
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-hydroxy-2-[4-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-1-yl]sulfonylacetamide
CID 142009634
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 51938037
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 43873496
2-(1,1-dioxothiolan-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611684
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51729148
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
4-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46413663

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 52516208) is 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is CC1CCN(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is KNDPNERAJILFDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23F3N2O4S/c1-12-7-9-22(10-8-12)27(24,25)11-16(23)21-13(2)14-3-5-15(6-4-14)26-17(18,19)20/h3-6,12-13H,7-11H2,1-2H3,(H,21,23)/t13-/m0/s1.
What are the key properties of 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 408.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)sulfonyl-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 52516208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).