5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide

C19H21F2N3O5S — CID 56579218

IUPAC5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)Cc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C19H21F2N3O5S/c1-12(25)22-14-7-8-17(23-30(3,27)28)16(10-14)18(26)24(2)11-13-5-4-6-15(9-13)29-19(20)21/h4-10,19,23H,11H2,1-3H3,(H,22,25)
InChIKeyIZTLDIXUYNRLCG-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.89
Rot. Bonds8

About 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide

5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide (PubChem CID 56579218) has the molecular formula C19H21F2N3O5S and a molecular weight of 441.46 g/mol. Its IUPAC name is 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide
PubChem CID56579218
Molecular FormulaC19H21F2N3O5S
Molecular Weight441.46 g/mol
Exact Mass441.12
IUPAC Name5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)Cc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C19H21F2N3O5S/c1-12(25)22-14-7-8-17(23-30(3,27)28)16(10-14)18(26)24(2)11-13-5-4-6-15(9-13)29-19(20)21/h4-10,19,23H,11H2,1-3H3,(H,22,25)
InChIKeyIZTLDIXUYNRLCG-UHFFFAOYSA-N
XLogP2.89
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide (CID 56579218) is 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N(C)Cc2cccc(OC(F)F)c2)c1.
What is the InChIKey of 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is IZTLDIXUYNRLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O5S/c1-12(25)22-14-7-8-17(23-30(3,27)28)16(10-14)18(26)24(2)11-13-5-4-6-15(9-13)29-19(20)21/h4-10,19,23H,11H2,1-3H3,(H,22,25).
What are the key properties of 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide?
5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 441.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[[3-(difluoromethoxy)phenyl]methyl]-2-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 56579218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).