(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C20H19Cl2N3O3S — CID 41156520

IUPAC(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H19Cl2N3O3S/c1-11(14-9-8-13(21)10-16(14)22)23-18(26)12(2)29-20-25-24-19(28-20)15-6-4-5-7-17(15)27-3/h4-12H,1-3H3,(H,23,26)/t11-,12+/m0/s1
InChIKeyHTHGRVLPIOJYAU-NWDGAFQWSA-N
MW452.36 g/mol
LogP5.41
Rot. Bonds7

About (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 41156520) has the molecular formula C20H19Cl2N3O3S and a molecular weight of 452.36 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID41156520
Molecular FormulaC20H19Cl2N3O3S
Molecular Weight452.36 g/mol
Exact Mass451.05
IUPAC Name(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCOc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C20H19Cl2N3O3S/c1-11(14-9-8-13(21)10-16(14)22)23-18(26)12(2)29-20-25-24-19(28-20)15-6-4-5-7-17(15)27-3/h4-12H,1-3H3,(H,23,26)/t11-,12+/m0/s1
InChIKeyHTHGRVLPIOJYAU-NWDGAFQWSA-N
XLogP5.41
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.36
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78765954
N-[1-(4-fluorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 112787259
N-[1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42977598
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 7834441
(2R)-N-(2,4-dichlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682861
(2S)-N-(2,4-dichlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7682860
4-[2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 24980925
(2R)-2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 41215772
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 45134896
(2S)-2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 9484267
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7403013
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 5139665

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 41156520) is (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is COc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is HTHGRVLPIOJYAU-NWDGAFQWSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S/c1-11(14-9-8-13(21)10-16(14)22)23-18(26)12(2)29-20-25-24-19(28-20)15-6-4-5-7-17(15)27-3/h4-12H,1-3H3,(H,23,26)/t11-,12+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 452.36 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 41156520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).