N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide

C17H25F2N3O3S — CID 42956007

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1CNS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2N3O3S/c1-12(15-7-6-13(18)9-16(15)19)21-17(23)11-22-8-4-3-5-14(22)10-20-26(2,24)25/h6-7,9,12,14,20H,3-5,8,10-11H2,1-2H3,(H,21,23)
InChIKeyILGCSIDOVBBDCE-UHFFFAOYSA-N
MW389.47 g/mol
LogP1.55
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide

N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide (PubChem CID 42956007) has the molecular formula C17H25F2N3O3S and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
PubChem CID42956007
Molecular FormulaC17H25F2N3O3S
Molecular Weight389.47 g/mol
Exact Mass389.16
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCCCC1CNS(C)(=O)=O)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2N3O3S/c1-12(15-7-6-13(18)9-16(15)19)21-17(23)11-22-8-4-3-5-14(22)10-20-26(2,24)25/h6-7,9,12,14,20H,3-5,8,10-11H2,1-2H3,(H,21,23)
InChIKeyILGCSIDOVBBDCE-UHFFFAOYSA-N
XLogP1.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide (CID 42956007) is N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide is CC(NC(=O)CN1CCCCC1CNS(C)(=O)=O)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
The InChIKey is ILGCSIDOVBBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O3S/c1-12(15-7-6-13(18)9-16(15)19)21-17(23)11-22-8-4-3-5-14(22)10-20-26(2,24)25/h6-7,9,12,14,20H,3-5,8,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide has a molecular weight of 389.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(methanesulfonamidomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 42956007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).