3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide

C22H21N3O4S — CID 17377321

IUPAC3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O4S/c1-16(26)24-19-10-12-21(13-11-19)30(28,29)25-20-9-5-8-18(14-20)22(27)23-15-17-6-3-2-4-7-17/h2-14,25H,15H2,1H3,(H,23,27)(H,24,26)
InChIKeySFUWEPXUSAZBJY-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.38
Rot. Bonds7

About 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide

3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide (PubChem CID 17377321) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
PubChem CID17377321
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C22H21N3O4S/c1-16(26)24-19-10-12-21(13-11-19)30(28,29)25-20-9-5-8-18(14-20)22(27)23-15-17-6-3-2-4-7-17/h2-14,25H,15H2,1H3,(H,23,27)(H,24,26)
InChIKeySFUWEPXUSAZBJY-UHFFFAOYSA-N
XLogP3.38
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-[(4-acetamidophenyl)sulfonylamino]-N-methylbenzamide
CID 31580637
N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 35933784
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
3-[2-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688702
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
5-[(4-acetamidophenyl)sulfonylamino]-N-benzyl-2-pyrrolidin-1-ylbenzamide
CID 1054868
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 30378303
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide?
The IUPAC name of 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide (CID 17377321) is 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide?
The canonical SMILES for 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide?
The InChIKey is SFUWEPXUSAZBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-16(26)24-19-10-12-21(13-11-19)30(28,29)25-20-9-5-8-18(14-20)22(27)23-15-17-6-3-2-4-7-17/h2-14,25H,15H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide?
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide has a molecular weight of 423.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide is sourced from PubChem (CID 17377321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).