(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

C19H20N4O4S2 — CID 51435967

IUPAC(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1
InChIInChI=1S/C19H20N4O4S2/c1-3-23(15-10-6-4-7-11-15)29(25,26)19-22-21-18(28-19)20-17(24)14(2)27-16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,20,21,24)/t14-/m1/s1
InChIKeyIZCPQPLTNAOODZ-CQSZACIVSA-N
MW432.53 g/mol
LogP3.16
Rot. Bonds8

About (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide

(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide (PubChem CID 51435967) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
PubChem CID51435967
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1
InChIInChI=1S/C19H20N4O4S2/c1-3-23(15-10-6-4-7-11-15)29(25,26)19-22-21-18(28-19)20-17(24)14(2)27-16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,20,21,24)/t14-/m1/s1
InChIKeyIZCPQPLTNAOODZ-CQSZACIVSA-N
XLogP3.16
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.16
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'}

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Related Compounds

(2R)-N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460571
(2S)-N-[5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide
CID 51460579
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716
N-[5-[(3,5-dimethylphenyl)-ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 22518145
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
2-(4-ethylphenoxy)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]propanamide
CID 4953267
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
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-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 22518004
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide (CID 51435967) is (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide is CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1.
What is the InChIKey of (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is IZCPQPLTNAOODZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-3-23(15-10-6-4-7-11-15)29(25,26)19-22-21-18(28-19)20-17(24)14(2)27-16-12-8-5-9-13-16/h4-14H,3H2,1-2H3,(H,20,21,24)/t14-/m1/s1.
What are the key properties of (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide?
(2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 432.53 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 51435967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).