5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide

C18H19F2N3O6S — CID 56516233

IUPAC5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)cc1OC(F)F
InChIInChI=1S/C18H19F2N3O6S/c1-10(24)21-11-4-6-14(23-30(3,26)27)13(8-11)17(25)22-12-5-7-15(28-2)16(9-12)29-18(19)20/h4-9,18,23H,1-3H3,(H,21,24)(H,22,25)
InChIKeyLMDGIQKOMKYLPB-UHFFFAOYSA-N
MW443.43 g/mol
LogP2.88
Rot. Bonds8

About 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide

5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide (PubChem CID 56516233) has the molecular formula C18H19F2N3O6S and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
PubChem CID56516233
Molecular FormulaC18H19F2N3O6S
Molecular Weight443.43 g/mol
Exact Mass443.10
IUPAC Name5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)cc1OC(F)F
InChIInChI=1S/C18H19F2N3O6S/c1-10(24)21-11-4-6-14(23-30(3,26)27)13(8-11)17(25)22-12-5-7-15(28-2)16(9-12)29-18(19)20/h4-9,18,23H,1-3H3,(H,21,24)(H,22,25)
InChIKeyLMDGIQKOMKYLPB-UHFFFAOYSA-N
XLogP2.88
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethoxy)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-methoxybenzamide
CID 37065204
dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
4-bromo-2-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37260856
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
5-acetamido-N-(4-bromo-2-fluorophenyl)-2-(methanesulfonamido)benzamide
CID 56579817
N-(5-acetamido-2-chlorophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55915712
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide?
The IUPAC name of 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide (CID 56516233) is 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide.
What is the SMILES notation for 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide?
The canonical SMILES for 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide is COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)cc1OC(F)F.
What is the InChIKey of 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide?
The InChIKey is LMDGIQKOMKYLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O6S/c1-10(24)21-11-4-6-14(23-30(3,26)27)13(8-11)17(25)22-12-5-7-15(28-2)16(9-12)29-18(19)20/h4-9,18,23H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide?
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide has a molecular weight of 443.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide is sourced from PubChem (CID 56516233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).