N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C25H23ClN4O2S — CID 4031710

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C25H23ClN4O2S/c26-18-11-12-22(30-13-4-1-5-14-30)21(15-18)27-23(31)16-33-25-29-28-24(32-25)20-10-6-8-17-7-2-3-9-19(17)20/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,27,31)
InChIKeyKUIHXWGJPRBCDQ-UHFFFAOYSA-N
MW479.01 g/mol
LogP6.26
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4031710) has the molecular formula C25H23ClN4O2S and a molecular weight of 479.01 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4031710
Molecular FormulaC25H23ClN4O2S
Molecular Weight479.01 g/mol
Exact Mass478.12
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C25H23ClN4O2S/c26-18-11-12-22(30-13-4-1-5-14-30)21(15-18)27-23(31)16-33-25-29-28-24(32-25)20-10-6-8-17-7-2-3-9-19(17)20/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,27,31)
InChIKeyKUIHXWGJPRBCDQ-UHFFFAOYSA-N
XLogP6.26
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5168533
N-(2-morpholin-4-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3605716
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4264570
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3630605
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4528173
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4032094
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4008066
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]acetamide
CID 5222146
N-(4-chloro-2-fluorophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9211542
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3995204
N-(5-chloro-2-cyanophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78769428
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 3133373

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4031710) is N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KUIHXWGJPRBCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O2S/c26-18-11-12-22(30-13-4-1-5-14-30)21(15-18)27-23(31)16-33-25-29-28-24(32-25)20-10-6-8-17-7-2-3-9-19(17)20/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,27,31).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 479.01 g/mol, XLogP of 6.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4031710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).