2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide

C16H20F2N2O3S — CID 155944590

IUPAC2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1(c2ccc(F)c(F)c2)CC1C(=O)NC1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C16H20F2N2O3S/c1-16(9-3-4-13(17)14(18)5-9)8-12(16)15(21)19-10-6-11(7-10)20-24(2,22)23/h3-5,10-12,20H,6-8H2,1-2H3,(H,19,21)
InChIKeyVIFFUGZXZFJYQF-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.44
Rot. Bonds5

About 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 155944590) has the molecular formula C16H20F2N2O3S and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide
PubChem CID155944590
Molecular FormulaC16H20F2N2O3S
Molecular Weight358.41 g/mol
Exact Mass358.12
IUPAC Name2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1(c2ccc(F)c(F)c2)CC1C(=O)NC1CC(NS(C)(=O)=O)C1
InChIInChI=1S/C16H20F2N2O3S/c1-16(9-3-4-13(17)14(18)5-9)8-12(16)15(21)19-10-6-11(7-10)20-24(2,22)23/h3-5,10-12,20H,6-8H2,1-2H3,(H,19,21)
InChIKeyVIFFUGZXZFJYQF-UHFFFAOYSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide (CID 155944590) is 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide is CC1(c2ccc(F)c(F)c2)CC1C(=O)NC1CC(NS(C)(=O)=O)C1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is VIFFUGZXZFJYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3S/c1-16(9-3-4-13(17)14(18)5-9)8-12(16)15(21)19-10-6-11(7-10)20-24(2,22)23/h3-5,10-12,20H,6-8H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[3-(methanesulfonamido)cyclobutyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 155944590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).