N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide

C24H29F4N3O2S — CID 143560356

IUPACN-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide
SMILESCC(C)N(C1CCN(CC(=O)N(C)c2ccc(F)cc2)CC1)S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F4N3O2S/c1-17(2)31(34(33)22-6-4-5-18(15-22)24(26,27)28)21-11-13-30(14-12-21)16-23(32)29(3)20-9-7-19(25)8-10-20/h4-10,15,17,21H,11-14,16H2,1-3H3
InChIKeyYDIQGCPIYGGNAX-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.70
Rot. Bonds7

About N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide

N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide (PubChem CID 143560356) has the molecular formula C24H29F4N3O2S and a molecular weight of 499.57 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide
PubChem CID143560356
Molecular FormulaC24H29F4N3O2S
Molecular Weight499.57 g/mol
Exact Mass499.19
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide
SMILESCC(C)N(C1CCN(CC(=O)N(C)c2ccc(F)cc2)CC1)S(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H29F4N3O2S/c1-17(2)31(34(33)22-6-4-5-18(15-22)24(26,27)28)21-11-13-30(14-12-21)16-23(32)29(3)20-9-7-19(25)8-10-20/h4-10,15,17,21H,11-14,16H2,1-3H3
InChIKeyYDIQGCPIYGGNAX-UHFFFAOYSA-N
XLogP4.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide (CID 143560356) is N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide is CC(C)N(C1CCN(CC(=O)N(C)c2ccc(F)cc2)CC1)S(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide?
The InChIKey is YDIQGCPIYGGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F4N3O2S/c1-17(2)31(34(33)22-6-4-5-18(15-22)24(26,27)28)21-11-13-30(14-12-21)16-23(32)29(3)20-9-7-19(25)8-10-20/h4-10,15,17,21H,11-14,16H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide?
N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide has a molecular weight of 499.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfinylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 143560356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).