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

C19H20N4O4S — CID 649342

IUPACN-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C19H20N4O4S/c1-3-25-14-7-8-16(26-4-2)15(10-14)21-17(24)12-28-19-23-22-18(27-19)13-6-5-9-20-11-13/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyUOEZKURIDUIXQR-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.66
Rot. Bonds9

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

N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 649342) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID649342
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C19H20N4O4S/c1-3-25-14-7-8-16(26-4-2)15(10-14)21-17(24)12-28-19-23-22-18(27-19)13-6-5-9-20-11-13/h5-11H,3-4,12H2,1-2H3,(H,21,24)
InChIKeyUOEZKURIDUIXQR-UHFFFAOYSA-N
XLogP3.66
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
N-(3-methoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 7559267
N-(2-methoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 662138
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 1172886
N-(2,5-dimethoxyphenyl)-2-{[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]thio}acetamide
CID 1258683
N-(2,4-dimethoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4436865
N-(2-ethoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4519704
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4831642
N-(2,5-dimethoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
CID 2985610
N-(4-methoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 758304
N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide
CID 992131
N-(3,4-dimethoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4694509

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 649342) is N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is UOEZKURIDUIXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-3-25-14-7-8-16(26-4-2)15(10-14)21-17(24)12-28-19-23-22-18(27-19)13-6-5-9-20-11-13/h5-11H,3-4,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 649342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).