N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H15Cl2N3O2S2 — CID 1490137

IUPACN-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O2S2/c19-10-5-6-13(20)14(7-10)21-16(24)9-27-18-23-22-17(25-18)12-8-26-15-4-2-1-3-11(12)15/h5-8H,1-4,9H2,(H,21,24)
InChIKeyQQUVXHZOBMPBHF-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.71
Rot. Bonds5

About N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1490137) has the molecular formula C18H15Cl2N3O2S2 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1490137
Molecular FormulaC18H15Cl2N3O2S2
Molecular Weight440.38 g/mol
Exact Mass439.00
IUPAC NameN-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N3O2S2/c19-10-5-6-13(20)14(7-10)21-16(24)9-27-18-23-22-17(25-18)12-8-26-15-4-2-1-3-11(12)15/h5-8H,1-4,9H2,(H,21,24)
InChIKeyQQUVXHZOBMPBHF-UHFFFAOYSA-N
XLogP5.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 3133373
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 55765016
N-(5-chloro-2-methylphenyl)-2-[[4-propan-2-yl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19722557
N-(2,5-dichlorophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5033341
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3873494
N-(5-chloro-2-cyanophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78769428
2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 78772086
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 55508200
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
N-(5-chloro-2-methylphenyl)-2-[[4-prop-2-enyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17267541
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5168533

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1490137) is N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is QQUVXHZOBMPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S2/c19-10-5-6-13(20)14(7-10)21-16(24)9-27-18-23-22-17(25-18)12-8-26-15-4-2-1-3-11(12)15/h5-8H,1-4,9H2,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 440.38 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1490137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).