(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

C24H21N3O4S2 — CID 40812838

IUPAC(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H21N3O4S2/c1-16(23(28)26-19-12-14-20(15-13-19)33(25,29)30)32-24-27-21(17-8-4-2-5-9-17)22(31-24)18-10-6-3-7-11-18/h2-16H,1H3,(H,26,28)(H2,25,29,30)/t16-/m1/s1
InChIKeyPFLUPPDSSAPJHP-MRXNPFEDSA-N
MW479.58 g/mol
LogP4.78
Rot. Bonds7

About (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide

(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 40812838) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID40812838
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C24H21N3O4S2/c1-16(23(28)26-19-12-14-20(15-13-19)33(25,29)30)32-24-27-21(17-8-4-2-5-9-17)22(31-24)18-10-6-3-7-11-18/h2-16H,1H3,(H,26,28)(H2,25,29,30)/t16-/m1/s1
InChIKeyPFLUPPDSSAPJHP-MRXNPFEDSA-N
XLogP4.78
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266243
(2S)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378053
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 2378056
(2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 7908438
(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2638742
(2S)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 135880626
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 7266259
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-sulfamoylphenyl)propanamide
CID 46620208
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
4-(2-methoxy-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 18701519
(2R)-2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 41155612
2-[[4,5-bis(4-methylphenyl)-1,3-oxazol-2-yl]sulfanyl]propanoic acid
CID 54419218

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 40812838) is (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide is C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is PFLUPPDSSAPJHP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-16(23(28)26-19-12-14-20(15-13-19)33(25,29)30)32-24-27-21(17-8-4-2-5-9-17)22(31-24)18-10-6-3-7-11-18/h2-16H,1H3,(H,26,28)(H2,25,29,30)/t16-/m1/s1.
What are the key properties of (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 479.58 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 40812838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).