N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide

C21H20N2O4S — CID 32638750

IUPACN-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
SMILESCOCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-15-16-6-5-9-19(14-16)22-21(24)17-10-12-20(13-11-17)28(25,26)23-18-7-3-2-4-8-18/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyANRHYEIQNWBMMA-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.89
Rot. Bonds7

About N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide

N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 32638750) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
PubChem CID32638750
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
SMILESCOCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C21H20N2O4S/c1-27-15-16-6-5-9-19(14-16)22-21(24)17-10-12-20(13-11-17)28(25,26)23-18-7-3-2-4-8-18/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyANRHYEIQNWBMMA-UHFFFAOYSA-N
XLogP3.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-hydrazinyl-N-[3-(methoxymethyl)phenyl]benzamide
CID 62247351
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-[3-(methoxymethyl)phenyl]-3-methylsulfonylbenzamide
CID 33099883
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
CID 49202399
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide (CID 32638750) is N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide is COCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is ANRHYEIQNWBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-15-16-6-5-9-19(14-16)22-21(24)17-10-12-20(13-11-17)28(25,26)23-18-7-3-2-4-8-18/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide?
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 32638750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).