N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide

C22H21N3O5S — CID 24666755

IUPACN-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1NC(C)=O
InChIInChI=1S/C22H21N3O5S/c1-15(26)23-20-14-18(10-13-21(20)30-2)24-22(27)16-8-11-19(12-9-16)31(28,29)25-17-6-4-3-5-7-17/h3-14,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyWWEOUSMYEKBLEL-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.71
Rot. Bonds7

About N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide

N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide (PubChem CID 24666755) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
PubChem CID24666755
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1NC(C)=O
InChIInChI=1S/C22H21N3O5S/c1-15(26)23-20-14-18(10-13-21(20)30-2)24-22(27)16-8-11-19(12-9-16)31(28,29)25-17-6-4-3-5-7-17/h3-14,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyWWEOUSMYEKBLEL-UHFFFAOYSA-N
XLogP3.71
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 24666750
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
4-[(2-methoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26538003
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-(3-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7553556
N-(3,4-diethoxyphenyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26878798

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide (CID 24666755) is N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide?
The InChIKey is WWEOUSMYEKBLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-15(26)23-20-14-18(10-13-21(20)30-2)24-22(27)16-8-11-19(12-9-16)31(28,29)25-17-6-4-3-5-7-17/h3-14,25H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide?
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide has a molecular weight of 439.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 24666755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).