2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide

C22H21N3O4S — CID 23821515

IUPAC2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O4S/c1-30(28,29)25(18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)22(27)24-20-10-6-5-9-19(20)21(23)26/h2-14H,15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyDTERJYOJXAIIJE-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.00
Rot. Bonds7

About 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide

2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide (PubChem CID 23821515) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
PubChem CID23821515
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
SMILESCS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C22H21N3O4S/c1-30(28,29)25(18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)22(27)24-20-10-6-5-9-19(20)21(23)26/h2-14H,15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyDTERJYOJXAIIJE-UHFFFAOYSA-N
XLogP3.00
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126118513
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
methyl 3-[[4-[benzyl(methylsulfonyl)amino]benzoyl]amino]-2-methylbenzoate
CID 126273538
2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide
CID 126328223
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
2-[[4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 19062210
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1317339
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509
2-benzamidobenzamide
CID 702115
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide (CID 23821515) is 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide is CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide?
The InChIKey is DTERJYOJXAIIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-30(28,29)25(18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)22(27)24-20-10-6-5-9-19(20)21(23)26/h2-14H,15H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide?
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 23821515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).