2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide

C25H21ClN4O2S — CID 55816760

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C25H21ClN4O2S/c26-20-11-9-18(10-12-20)24-28-29-25(32-24)33-16-23(31)27-21-7-3-1-6-19(21)15-30-14-13-17-5-2-4-8-22(17)30/h1-12H,13-16H2,(H,27,31)
InChIKeyBDFRBPIJKYTTTK-UHFFFAOYSA-N
MW476.99 g/mol
LogP5.68
Rot. Bonds7

About 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide (PubChem CID 55816760) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
PubChem CID55816760
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1CN1CCc2ccccc21
InChIInChI=1S/C25H21ClN4O2S/c26-20-11-9-18(10-12-20)24-28-29-25(32-24)33-16-23(31)27-21-7-3-1-6-19(21)15-30-14-13-17-5-2-4-8-22(17)30/h1-12H,13-16H2,(H,27,31)
InChIKeyBDFRBPIJKYTTTK-UHFFFAOYSA-N
XLogP5.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 56731749
ethyl 2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 3913345
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 55340382
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(dimethylsulfamoyl)phenyl]acetamide
CID 55984212
2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 4809747
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3440507
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 27917055
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide (CID 55816760) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1CN1CCc2ccccc21.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
The InChIKey is BDFRBPIJKYTTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c26-20-11-9-18(10-12-20)24-28-29-25(32-24)33-16-23(31)27-21-7-3-1-6-19(21)15-30-14-13-17-5-2-4-8-22(17)30/h1-12H,13-16H2,(H,27,31).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide has a molecular weight of 476.99 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55816760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).