3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C23H29F2N3O3S — CID 55713959

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H29F2N3O3S/c1-17-6-4-5-13-28(17)16-19-8-3-2-7-18(19)15-26-23(29)11-12-27-32(30,31)20-9-10-21(24)22(25)14-20/h2-3,7-10,14,17,27H,4-6,11-13,15-16H2,1H3,(H,26,29)
InChIKeyNOHIOLAUSFMMFO-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.32
Rot. Bonds9

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 55713959) has the molecular formula C23H29F2N3O3S and a molecular weight of 465.57 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID55713959
Molecular FormulaC23H29F2N3O3S
Molecular Weight465.57 g/mol
Exact Mass465.19
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H29F2N3O3S/c1-17-6-4-5-13-28(17)16-19-8-3-2-7-18(19)15-26-23(29)11-12-27-32(30,31)20-9-10-21(24)22(25)14-20/h2-3,7-10,14,17,27H,4-6,11-13,15-16H2,1H3,(H,26,29)
InChIKeyNOHIOLAUSFMMFO-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 55713959) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC1CCCCN1Cc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is NOHIOLAUSFMMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O3S/c1-17-6-4-5-13-28(17)16-19-8-3-2-7-18(19)15-26-23(29)11-12-27-32(30,31)20-9-10-21(24)22(25)14-20/h2-3,7-10,14,17,27H,4-6,11-13,15-16H2,1H3,(H,26,29).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 465.57 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 55713959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).