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

C18H16ClN3O3S — CID 42414828

IUPAC(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-11(25-15-6-4-3-5-14(15)19)17(23)21-18-20-16(22-26-18)12-7-9-13(24-2)10-8-12/h3-11H,1-2H3,(H,20,21,22,23)/t11-/m1/s1
InChIKeyHAACKQSHXJCGQY-LLVKDONJSA-N
MW389.86 g/mol
LogP4.27
Rot. Bonds6

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

(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide (PubChem CID 42414828) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
PubChem CID42414828
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCOc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H16ClN3O3S/c1-11(25-15-6-4-3-5-14(15)19)17(23)21-18-20-16(22-26-18)12-7-9-13(24-2)10-8-12/h3-11H,1-2H3,(H,20,21,22,23)/t11-/m1/s1
InChIKeyHAACKQSHXJCGQY-LLVKDONJSA-N
XLogP4.27
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]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

(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414813
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414805
(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414795
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 35343072
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516
2-(2-chlorophenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 133202145
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-methoxybenzamide
CID 43888041
2-(2-chlorophenoxy)-N-(3-methoxy-2-pyridinyl)propanamide
CID 51107977
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide (CID 42414828) is (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide is COc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The InChIKey is HAACKQSHXJCGQY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-11(25-15-6-4-3-5-14(15)19)17(23)21-18-20-16(22-26-18)12-7-9-13(24-2)10-8-12/h3-11H,1-2H3,(H,20,21,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide has a molecular weight of 389.86 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide is sourced from PubChem (CID 42414828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).