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

C20H21N3O2S — CID 35343072

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-12-5-8-16(9-6-12)18-21-20(26-23-18)22-19(24)15(4)25-17-10-7-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,21,22,23,24)/t15-/m1/s1
InChIKeyCVXGXJVYKDGCIV-OAHLLOKOSA-N
MW367.47 g/mol
LogP4.54
Rot. Bonds5

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

(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide (PubChem CID 35343072) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
PubChem CID35343072
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide
SMILESCc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C20H21N3O2S/c1-12-5-8-16(9-6-12)18-21-20(26-23-18)22-19(24)15(4)25-17-10-7-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,21,22,23,24)/t15-/m1/s1
InChIKeyCVXGXJVYKDGCIV-OAHLLOKOSA-N
XLogP4.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3,5-dimethylphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414795
(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
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414828
(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35526865
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
2-(3,4-dimethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43843008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide (CID 35343072) is (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide is Cc1ccc(-c2nsc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
The InChIKey is CVXGXJVYKDGCIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-5-8-16(9-6-12)18-21-20(26-23-18)22-19(24)15(4)25-17-10-7-13(2)14(3)11-17/h5-11,15H,1-4H3,(H,21,22,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide has a molecular weight of 367.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]propanamide is sourced from PubChem (CID 35343072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).