2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide

C22H19BrN2O4S — CID 60553703

IUPAC2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H19BrN2O4S/c1-30(28,29)16-12-10-15(11-13-16)14-24-21(26)18-7-3-5-9-20(18)25-22(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyOSRPCQJGUJXOLQ-UHFFFAOYSA-N
MW487.38 g/mol
LogP4.03
Rot. Bonds6

About 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide

2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide (PubChem CID 60553703) has the molecular formula C22H19BrN2O4S and a molecular weight of 487.38 g/mol. Its IUPAC name is 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
PubChem CID60553703
Molecular FormulaC22H19BrN2O4S
Molecular Weight487.38 g/mol
Exact Mass486.02
IUPAC Name2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C22H19BrN2O4S/c1-30(28,29)16-12-10-15(11-13-16)14-24-21(26)18-7-3-5-9-20(18)25-22(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyOSRPCQJGUJXOLQ-UHFFFAOYSA-N
XLogP4.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062457
2-[(2-bromobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 26549863
N-[(4-methylsulfonylphenyl)methyl]-2-(2-phenylethyl)benzamide
CID 60553593
2-[(2-bromobenzoyl)amino]-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 55972093
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-[(4-methylsulfonylphenyl)methylamino]benzoic acid
CID 62232382

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The IUPAC name of 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide (CID 60553703) is 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
The InChIKey is OSRPCQJGUJXOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4S/c1-30(28,29)16-12-10-15(11-13-16)14-24-21(26)18-7-3-5-9-20(18)25-22(27)17-6-2-4-8-19(17)23/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide?
2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide has a molecular weight of 487.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromobenzoyl)amino]-N-[(4-methylsulfonylphenyl)methyl]benzamide is sourced from PubChem (CID 60553703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).