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

C17H16ClN3O2S2 — CID 8644307

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H16ClN3O2S2/c1-11-6-7-24-14(11)9-21(2)15(22)10-25-17-20-19-16(23-17)12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3
InChIKeyXHDFEOMYNGLALV-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.51
Rot. Bonds6

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

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 8644307) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID8644307
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C17H16ClN3O2S2/c1-11-6-7-24-14(11)9-21(2)15(22)10-25-17-20-19-16(23-17)12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3
InChIKeyXHDFEOMYNGLALV-UHFFFAOYSA-N
XLogP4.51
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 55368873
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 861507
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 27967544
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,5-dimethylphenyl)ethanone
CID 3909064
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide
CID 78867192
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7992407
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7805643
ethyl 4-[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 2155793
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone
CID 7533953
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 9362002
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 8644307) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is XHDFEOMYNGLALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-11-6-7-24-14(11)9-21(2)15(22)10-25-17-20-19-16(23-17)12-4-3-5-13(18)8-12/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 393.92 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8644307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).