(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C20H19N3O2S — CID 1019431

IUPAC(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)s1
InChIInChI=1S/C20H19N3O2S/c1-3-17-22-23-20(26-17)21-19(25)13(2)15-10-7-11-16(12-15)18(24)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,21,23,25)/t13-/m1/s1
InChIKeyBKMFGOUAUNTGDZ-CYBMUJFWSA-N
MW365.46 g/mol
LogP4.07
Rot. Bonds6

About (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 1019431) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID1019431
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)s1
InChIInChI=1S/C20H19N3O2S/c1-3-17-22-23-20(26-17)21-19(25)13(2)15-10-7-11-16(12-15)18(24)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,21,23,25)/t13-/m1/s1
InChIKeyBKMFGOUAUNTGDZ-CYBMUJFWSA-N
XLogP4.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-phenacylsulfanylbenzamide
CID 84560916
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
2-(3-benzoylphenyl)propanoic acid;N,N-diethylethanamine
CID 146624799
(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 98001096
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47074211
ethyl 2-[2-(3-benzoylphenyl)propanoylamino]benzoate
CID 4101602
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 1019431) is (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)s1.
What is the InChIKey of (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BKMFGOUAUNTGDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-17-22-23-20(26-17)21-19(25)13(2)15-10-7-11-16(12-15)18(24)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3,(H,21,23,25)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 365.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 1019431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).