4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide

C22H20N2O5S — CID 10622237

IUPAC4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H20N2O5S/c1-29-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(14-10-16)30(2,27)28/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyOIBQOEQWAYXQGP-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.60
Rot. Bonds6

About 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide

4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide (PubChem CID 10622237) has the molecular formula C22H20N2O5S and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide
PubChem CID10622237
Molecular FormulaC22H20N2O5S
Molecular Weight424.48 g/mol
Exact Mass424.11
IUPAC Name4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H20N2O5S/c1-29-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(14-10-16)30(2,27)28/h3-14H,1-2H3,(H,23,25)(H,24,26)
InChIKeyOIBQOEQWAYXQGP-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

N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenzamide
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4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}-4-methoxybenzamide
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3,4-dimethoxy-N-[3-(methylsulfonyl)phenyl]benzamide
CID 1506534
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
CID 22313526
4-(4-Methanesulfonyl-phenyl)-3-(4-methoxy-phenyl)-1-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293966
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Acetic acid 4-[2-(4-acetoxy-benzoylamino)-phenylcarbamoyl]-phenyl ester
CID 6620659
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
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4-ethoxy-N-[3-(methylsulfanyl)phenyl]benzamide
CID 837888

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide (CID 10622237) is 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide?
The InChIKey is OIBQOEQWAYXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5S/c1-29-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(14-10-16)30(2,27)28/h3-14H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide?
4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]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 4-methoxy-N-[2-[(4-methylsulfonylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 10622237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).