2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide

C22H20N2O5S — CID 90010848

IUPAC2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C22H20N2O5S/c1-29-20-13-6-4-11-18(20)22(26)24-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)30(2,27)28/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyLIJPVQZEFXCHRY-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.60
Rot. Bonds6

About 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide

2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 90010848) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
PubChem CID90010848
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C22H20N2O5S/c1-29-20-13-6-4-11-18(20)22(26)24-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)30(2,27)28/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyLIJPVQZEFXCHRY-UHFFFAOYSA-N
XLogP3.60
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336
2-[(4-chlorophenyl)methoxy]-N-(3-methylsulfonylphenyl)benzamide
CID 9071253
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide (CID 90010848) is 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide is COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is LIJPVQZEFXCHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-29-20-13-6-4-11-18(20)22(26)24-19-12-5-3-10-17(19)21(25)23-15-8-7-9-16(14-15)30(2,27)28/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide?
2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 90010848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).