2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide

C22H21N3O5S — CID 30276893

IUPAC2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21N3O5S/c1-31(28,29)25(15-21(26)24-18-12-6-5-11-17(18)22(23)27)19-13-7-8-14-20(19)30-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,23,27)(H,24,26)
InChIKeyFEMJIIGZBVBILY-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.98
Rot. Bonds8

About 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide

2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide (PubChem CID 30276893) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
PubChem CID30276893
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21N3O5S/c1-31(28,29)25(15-21(26)24-18-12-6-5-11-17(18)22(23)27)19-13-7-8-14-20(19)30-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,23,27)(H,24,26)
InChIKeyFEMJIIGZBVBILY-UHFFFAOYSA-N
XLogP2.98
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126030283
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100608249

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide (CID 30276893) is 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C(N)=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide?
The InChIKey is FEMJIIGZBVBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-31(28,29)25(15-21(26)24-18-12-6-5-11-17(18)22(23)27)19-13-7-8-14-20(19)30-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,23,27)(H,24,26).
What are the key properties of 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide?
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide has a molecular weight of 439.49 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 30276893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).