(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide

C19H18ClN3O3S — CID 100622346

IUPAC(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H18ClN3O3S/c1-3-14(26-16-7-5-4-6-15(16)25-2)17(24)21-19-23-22-18(27-19)12-8-10-13(20)11-9-12/h4-11,14H,3H2,1-2H3,(H,21,23,24)/t14-/m0/s1
InChIKeyOXVKAAHSJMVCIF-AWEZNQCLSA-N
MW403.89 g/mol
LogP4.66
Rot. Bonds7

About (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide

(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide (PubChem CID 100622346) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide
PubChem CID100622346
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H18ClN3O3S/c1-3-14(26-16-7-5-4-6-15(16)25-2)17(24)21-19-23-22-18(27-19)12-8-10-13(20)11-9-12/h4-11,14H,3H2,1-2H3,(H,21,23,24)/t14-/m0/s1
InChIKeyOXVKAAHSJMVCIF-AWEZNQCLSA-N
XLogP4.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide
CID 100622325
(2S)-2-(2-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100536622
(2S)-2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100543248
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dimethylphenoxy)butanamide
CID 133202666
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)butanamide
CID 133235523
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)butanamide
CID 133210668
(2S)-2-(2-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100566516
(2S)-2-(4-tert-butylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100721792
2-(2,4-dimethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133251965
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
2-(3,5-dimethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 133162555

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide (CID 100622346) is (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide is CC[C@H](Oc1ccccc1OC)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide?
The InChIKey is OXVKAAHSJMVCIF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-3-14(26-16-7-5-4-6-15(16)25-2)17(24)21-19-23-22-18(27-19)12-8-10-13(20)11-9-12/h4-11,14H,3H2,1-2H3,(H,21,23,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide?
(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide has a molecular weight of 403.89 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 100622346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).