2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

C24H30F4N4O3S — CID 71538504

IUPAC2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)CC1
InChIInChI=1S/C24H30F4N4O3S/c1-15-8-10-32(11-9-15)22-19(6-7-21(31-22)24(26,27)28)13-29-23(33)16(2)17-4-5-18(20(25)12-17)14-30-36(3,34)35/h4-7,12,15-16,30H,8-11,13-14H2,1-3H3,(H,29,33)
InChIKeyARMZBBXOPXFIEN-UHFFFAOYSA-N
MW530.59 g/mol
LogP3.94
Rot. Bonds8

About 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide

2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (PubChem CID 71538504) has the molecular formula C24H30F4N4O3S and a molecular weight of 530.59 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
PubChem CID71538504
Molecular FormulaC24H30F4N4O3S
Molecular Weight530.59 g/mol
Exact Mass530.20
IUPAC Name2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)CC1
InChIInChI=1S/C24H30F4N4O3S/c1-15-8-10-32(11-9-15)22-19(6-7-21(31-22)24(26,27)28)13-29-23(33)16(2)17-4-5-18(20(25)12-17)14-30-36(3,34)35/h4-7,12,15-16,30H,8-11,13-14H2,1-3H3,(H,29,33)
InChIKeyARMZBBXOPXFIEN-UHFFFAOYSA-N
XLogP3.94
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide (CID 71538504) is 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)C(C)c2ccc(CNS(C)(=O)=O)c(F)c2)CC1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
The InChIKey is ARMZBBXOPXFIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N4O3S/c1-15-8-10-32(11-9-15)22-19(6-7-21(31-22)24(26,27)28)13-29-23(33)16(2)17-4-5-18(20(25)12-17)14-30-36(3,34)35/h4-7,12,15-16,30H,8-11,13-14H2,1-3H3,(H,29,33).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide has a molecular weight of 530.59 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 71538504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).