2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C24H30F4N4O3S — CID 25124693

IUPAC2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(S(=O)(=O)N(C)C)c(F)c2)CC1
InChIInChI=1S/C24H30F4N4O3S/c1-15-9-11-32(12-10-15)22-18(6-8-21(30-22)24(26,27)28)14-29-23(33)16(2)17-5-7-20(19(25)13-17)36(34,35)31(3)4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,29,33)
InChIKeyJGYYEPYQRQQTCE-UHFFFAOYSA-N
MW530.59 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 25124693) has the molecular formula C24H30F4N4O3S and a molecular weight of 530.59 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID25124693
Molecular FormulaC24H30F4N4O3S
Molecular Weight530.59 g/mol
Exact Mass530.20
IUPAC Name2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(S(=O)(=O)N(C)C)c(F)c2)CC1
InChIInChI=1S/C24H30F4N4O3S/c1-15-9-11-32(12-10-15)22-18(6-8-21(30-22)24(26,27)28)14-29-23(33)16(2)17-5-7-20(19(25)13-17)36(34,35)31(3)4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,29,33)
InChIKeyJGYYEPYQRQQTCE-UHFFFAOYSA-N
XLogP4.15
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 25124693) is 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(S(=O)(=O)N(C)C)c(F)c2)CC1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is JGYYEPYQRQQTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N4O3S/c1-15-9-11-32(12-10-15)22-18(6-8-21(30-22)24(26,27)28)14-29-23(33)16(2)17-5-7-20(19(25)13-17)36(34,35)31(3)4/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,29,33).
What are the key properties of 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 530.59 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 25124693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).