N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide

C21H19N3O4S — CID 108507971

IUPACN'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19N3O4S/c22-29(27,28)18-13-11-17(12-14-18)23-20(25)21(26)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyMJAJDPSSHOPOST-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.18
Rot. Bonds5

About N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide

N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide (PubChem CID 108507971) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
PubChem CID108507971
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19N3O4S/c22-29(27,28)18-13-11-17(12-14-18)23-20(25)21(26)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyMJAJDPSSHOPOST-UHFFFAOYSA-N
XLogP2.18
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzhydryl-N-(4-hydroxyphenyl)oxamide
CID 108501977
2-anilino-N-(4-sulfamoylphenyl)-2-sulfanylideneacetamide
CID 25049375
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
4-(benzhydrylcarbamoylamino)benzenesulfonic acid
CID 108867379
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 41095619
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623
2,2-diphenyl-N-[(4-sulfamoylphenyl)carbamothioyl]acetamide
CID 1300022
N'-(2,6-dimethylphenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508841
N'-methyl-N'-phenyl-N-(4-sulfamoylphenyl)oxamide
CID 108508706
N-(2-hydroxyethyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508767

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide?
The IUPAC name of N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide (CID 108507971) is N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide.
What is the SMILES notation for N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide?
The canonical SMILES for N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide is NS(=O)(=O)c1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide?
The InChIKey is MJAJDPSSHOPOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c22-29(27,28)18-13-11-17(12-14-18)23-20(25)21(26)24-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,23,25)(H,24,26)(H2,22,27,28).
What are the key properties of N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide?
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide has a molecular weight of 409.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide is sourced from PubChem (CID 108507971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).