N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide

C23H23N3O4S — CID 4868898

IUPACN-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4S/c1-16(25-15-17-11-13-19(14-12-17)31(24,29)30)23(28)26-21-10-6-5-9-20(21)22(27)18-7-3-2-4-8-18/h2-14,16,25H,15H2,1H3,(H,26,28)(H2,24,29,30)
InChIKeyWFVWMGOCDPXIJS-UHFFFAOYSA-N
MW437.52 g/mol
LogP2.68
Rot. Bonds8

About N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide

N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide (PubChem CID 4868898) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
PubChem CID4868898
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
SMILESCC(NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4S/c1-16(25-15-17-11-13-19(14-12-17)31(24,29)30)23(28)26-21-10-6-5-9-20(21)22(27)18-7-3-2-4-8-18/h2-14,16,25H,15H2,1H3,(H,26,28)(H2,24,29,30)
InChIKeyWFVWMGOCDPXIJS-UHFFFAOYSA-N
XLogP2.68
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-sulfamoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide
CID 2455935
4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 171979954
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
4-benzoylbenzenesulfonamide
CID 70209200
(2R)-2-[(4-sulfamoylphenyl)methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2449061
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-sulfamoylphenyl)propanamide
CID 4845099
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42981396
2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 3655603
(2S)-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoic acid
CID 939163
4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
CID 102867736

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide (CID 4868898) is N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide is CC(NCc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
The InChIKey is WFVWMGOCDPXIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16(25-15-17-11-13-19(14-12-17)31(24,29)30)23(28)26-21-10-6-5-9-20(21)22(27)18-7-3-2-4-8-18/h2-14,16,25H,15H2,1H3,(H,26,28)(H2,24,29,30).
What are the key properties of N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide?
N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide has a molecular weight of 437.52 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[(4-sulfamoylphenyl)methylamino]propanamide is sourced from PubChem (CID 4868898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).