2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide

C20H25FN2O3S — CID 11452156

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-13(2)16-7-5-15(6-8-16)12-22-20(24)14(3)17-9-10-19(18(21)11-17)23-27(4,25)26/h5-11,13-14,23H,12H2,1-4H3,(H,22,24)
InChIKeyCHKDHCHIZLAWCO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.74
Rot. Bonds7

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 11452156) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID11452156
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(C)c1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C20H25FN2O3S/c1-13(2)16-7-5-15(6-8-16)12-22-20(24)14(3)17-9-10-19(18(21)11-17)23-27(4,25)26/h5-11,13-14,23H,12H2,1-4H3,(H,22,24)
InChIKeyCHKDHCHIZLAWCO-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 11452156) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(C)c1ccc(CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is CHKDHCHIZLAWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-13(2)16-7-5-15(6-8-16)12-22-20(24)14(3)17-9-10-19(18(21)11-17)23-27(4,25)26/h5-11,13-14,23H,12H2,1-4H3,(H,22,24).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 11452156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).