2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

C20H20ClN3O2S — CID 43974736

IUPAC2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)Cc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-13(2)27-17-9-5-15(6-10-17)12-19-23-24-20(26-19)22-18(25)11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyRNSLVCRDUJIVIG-UHFFFAOYSA-N
MW401.92 g/mol
LogP5.00
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43974736) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43974736
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCC(C)Sc1ccc(Cc2nnc(NC(=O)Cc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C20H20ClN3O2S/c1-13(2)27-17-9-5-15(6-10-17)12-19-23-24-20(26-19)22-18(25)11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24,25)
InChIKeyRNSLVCRDUJIVIG-UHFFFAOYSA-N
XLogP5.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide with MolForge

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Related Compounds

4-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974664
3-(4-methoxyphenyl)sulfanyl-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974667
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838897
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43973311
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
4-(dimethylamino)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974602
4-(4-chlorophenyl)sulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974931
2-(4-methylsulfonylphenyl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973588
3-(4-chlorophenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974095
4-(4-chlorophenyl)sulfanyl-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 16917950
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43974736) is 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CC(C)Sc1ccc(Cc2nnc(NC(=O)Cc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is RNSLVCRDUJIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-13(2)27-17-9-5-15(6-10-17)12-19-23-24-20(26-19)22-18(25)11-14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 401.92 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43974736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).