5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide

C22H21N3O5S — CID 56516046

IUPAC5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21N3O5S/c1-15(26)23-17-10-13-21(25-31(2,28)29)20(14-17)22(27)24-16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-14,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyMLKQNPNUUFJJRY-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.06
Rot. Bonds7

About 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide

5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide (PubChem CID 56516046) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
PubChem CID56516046
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
SMILESCC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21N3O5S/c1-15(26)23-17-10-13-21(25-31(2,28)29)20(14-17)22(27)24-16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-14,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyMLKQNPNUUFJJRY-UHFFFAOYSA-N
XLogP4.06
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]benzene-1,3-dicarboxylate
CID 56515538
5-acetamido-N-[4-(tert-butylcarbamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 56516493
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
[4-(thiophene-2-carbonylamino)phenyl] 5-acetamido-2-(methanesulfonamido)benzoate
CID 56514934
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
5-acetamido-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(methanesulfonamido)benzamide
CID 56579538
5-acetamido-N-[3-[ethyl(methyl)amino]phenyl]-2-(methanesulfonamido)benzamide
CID 56579091
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
4-N-[4-(methanesulfonamido)-3-phenoxyphenyl]benzene-1,4-dicarboxamide
CID 164612899
5-acetamido-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methanesulfonamido)benzamide
CID 56516233
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide (CID 56516046) is 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide is CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is MLKQNPNUUFJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-15(26)23-17-10-13-21(25-31(2,28)29)20(14-17)22(27)24-16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-14,25H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide?
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 439.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 56516046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).