(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

C20H21N3O3S — CID 100761285

IUPAC(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H21N3O3S/c1-4-14-7-5-6-8-17(14)26-13(2)18(24)21-20-23-22-19(27-20)15-9-11-16(25-3)12-10-15/h5-13H,4H2,1-3H3,(H,21,23,24)/t13-/m0/s1
InChIKeyBFHLYZGWBLQHMR-ZDUSSCGKSA-N
MW383.47 g/mol
LogP4.18
Rot. Bonds7

About (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide

(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100761285) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100761285
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H21N3O3S/c1-4-14-7-5-6-8-17(14)26-13(2)18(24)21-20-23-22-19(27-20)15-9-11-16(25-3)12-10-15/h5-13H,4H2,1-3H3,(H,21,23,24)/t13-/m0/s1
InChIKeyBFHLYZGWBLQHMR-ZDUSSCGKSA-N
XLogP4.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
(2S)-2-(2-methylphenoxy)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100766238
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133261870
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
(2S)-2-(4-fluorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 92546674
(2R)-2-naphthalen-2-yloxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 100726517
2-methoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 3603844
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)butanamide
CID 133210668
(2S)-2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 38928174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 100761285) is (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is BFHLYZGWBLQHMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-14-7-5-6-8-17(14)26-13(2)18(24)21-20-23-22-19(27-20)15-9-11-16(25-3)12-10-15/h5-13H,4H2,1-3H3,(H,21,23,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide?
(2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 100761285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).