(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

C21H24N4O4S2 — CID 51460571

IUPAC(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
SMILESCCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1
InChIInChI=1S/C21H24N4O4S2/c1-5-25(17-12-14(2)11-15(3)13-17)31(27,28)21-24-23-20(30-21)22-19(26)16(4)29-18-9-7-6-8-10-18/h6-13,16H,5H2,1-4H3,(H,22,23,26)/t16-/m1/s1
InChIKeyFLDCEMSRNWACLC-MRXNPFEDSA-N
MW460.58 g/mol
LogP3.78
Rot. Bonds8

About (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide (PubChem CID 51460571) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
PubChem CID51460571
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
SMILESCCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1
InChIInChI=1S/C21H24N4O4S2/c1-5-25(17-12-14(2)11-15(3)13-17)31(27,28)21-24-23-20(30-21)22-19(26)16(4)29-18-9-7-6-8-10-18/h6-13,16H,5H2,1-4H3,(H,22,23,26)/t16-/m1/s1
InChIKeyFLDCEMSRNWACLC-MRXNPFEDSA-N
XLogP3.78
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide 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)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51435967
N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 22518145
(2S)-N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460579
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2S)-N-[5-[[(2R)-2,5-dimethyl-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 129419496
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
N-[5-[ethyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 46271960
phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 70529698
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
2-(3,5-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 4699625

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide (CID 51460571) is (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide is CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1.
What is the InChIKey of (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is FLDCEMSRNWACLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-5-25(17-12-14(2)11-15(3)13-17)31(27,28)21-24-23-20(30-21)22-19(26)16(4)29-18-9-7-6-8-10-18/h6-13,16H,5H2,1-4H3,(H,22,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 460.58 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 51460571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).