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

C24H21ClN4O2S — CID 3654794

IUPACN-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C24H21ClN4O2S/c25-19-8-5-9-20(22(19)29-12-3-4-13-29)26-21(30)15-32-24-28-27-23(31-24)18-11-10-16-6-1-2-7-17(16)14-18/h1-2,5-11,14H,3-4,12-13,15H2,(H,26,30)
InChIKeyGOJVHVSMCFJZMF-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.87
Rot. Bonds6

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

N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3654794) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3654794
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC NameN-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cccc(Cl)c1N1CCCC1
InChIInChI=1S/C24H21ClN4O2S/c25-19-8-5-9-20(22(19)29-12-3-4-13-29)26-21(30)15-32-24-28-27-23(31-24)18-11-10-16-6-1-2-7-17(16)14-18/h1-2,5-11,14H,3-4,12-13,15H2,(H,26,30)
InChIKeyGOJVHVSMCFJZMF-UHFFFAOYSA-N
XLogP5.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4695392
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4008066
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4665581
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]acetamide
CID 3465113
N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3666320
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 4233206
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4044383
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4274087
N-(2-ethoxyphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3956986
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
CID 4027158
1-(azepan-1-yl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 4617947
N-(4-iodo-2-methylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4665928

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3654794) is N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1cccc(Cl)c1N1CCCC1.
What is the InChIKey of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GOJVHVSMCFJZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c25-19-8-5-9-20(22(19)29-12-3-4-13-29)26-21(30)15-32-24-28-27-23(31-24)18-11-10-16-6-1-2-7-17(16)14-18/h1-2,5-11,14H,3-4,12-13,15H2,(H,26,30).
What are the key properties of N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 464.98 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrrolidin-1-ylphenyl)-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3654794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).