N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C21H23ClN4O2S — CID 18274715

IUPACN-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(CC)c1ccc(-c2nnc(SC(C)C(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H23ClN4O2S/c1-4-26(5-2)18-12-6-15(7-13-18)20-24-25-21(28-20)29-14(3)19(27)23-17-10-8-16(22)9-11-17/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyHQKMXAIJWYTNET-UHFFFAOYSA-N
MW430.96 g/mol
LogP5.36
Rot. Bonds8

About N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 18274715) has the molecular formula C21H23ClN4O2S and a molecular weight of 430.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID18274715
Molecular FormulaC21H23ClN4O2S
Molecular Weight430.96 g/mol
Exact Mass430.12
IUPAC NameN-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCCN(CC)c1ccc(-c2nnc(SC(C)C(=O)Nc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C21H23ClN4O2S/c1-4-26(5-2)18-12-6-15(7-13-18)20-24-25-21(28-20)29-14(3)19(27)23-17-10-8-16(22)9-11-17/h6-14H,4-5H2,1-3H3,(H,23,27)
InChIKeyHQKMXAIJWYTNET-UHFFFAOYSA-N
XLogP5.36
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.96
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78564518
4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 42902457
4-[[(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]benzamide
CID 7907106
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)propanamide
CID 112783810
(2R)-N-(4-chlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7826483
(2R)-N-(4-acetamidophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7815978
(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7633132
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7633134
(2S)-N-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556817
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8748466
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072
(2R)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11945146

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 18274715) is N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is CCN(CC)c1ccc(-c2nnc(SC(C)C(=O)Nc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is HQKMXAIJWYTNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2S/c1-4-26(5-2)18-12-6-15(7-13-18)20-24-25-21(28-20)29-14(3)19(27)23-17-10-8-16(22)9-11-17/h6-14H,4-5H2,1-3H3,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 430.96 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 18274715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).