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

C21H15ClN4O2S — CID 30333673

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C21H15ClN4O2S/c22-15-7-9-16(10-8-15)29-13-19(27)24-18-6-2-1-5-17(18)21-25-20(26-28-21)14-4-3-11-23-12-14/h1-12H,13H2,(H,24,27)
InChIKeyQFWVAECPSOSYHV-UHFFFAOYSA-N
MW422.90 g/mol
LogP5.18
Rot. Bonds6

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

2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 30333673) has the molecular formula C21H15ClN4O2S and a molecular weight of 422.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID30333673
Molecular FormulaC21H15ClN4O2S
Molecular Weight422.90 g/mol
Exact Mass422.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C21H15ClN4O2S/c22-15-7-9-16(10-8-15)29-13-19(27)24-18-6-2-1-5-17(18)21-25-20(26-28-21)14-4-3-11-23-12-14/h1-12H,13H2,(H,24,27)
InChIKeyQFWVAECPSOSYHV-UHFFFAOYSA-N
XLogP5.18
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333702
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333177
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]quinoline-2-carboxamide
CID 30332916
2-(4-bromophenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331599
2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331126
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332097
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30334607
4-chloro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 30333479
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332686
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 30333673) is 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is QFWVAECPSOSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2S/c22-15-7-9-16(10-8-15)29-13-19(27)24-18-6-2-1-5-17(18)21-25-20(26-28-21)14-4-3-11-23-12-14/h1-12H,13H2,(H,24,27).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 422.90 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 30333673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).