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

C17H16N4O4S — CID 4694509

IUPACN-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1OC
InChIInChI=1S/C17H16N4O4S/c1-23-13-6-5-12(8-14(13)24-2)19-15(22)10-26-17-21-20-16(25-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyLYSZPAVOQVVDBD-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.88
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4694509) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4694509
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1OC
InChIInChI=1S/C17H16N4O4S/c1-23-13-6-5-12(8-14(13)24-2)19-15(22)10-26-17-21-20-16(25-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyLYSZPAVOQVVDBD-UHFFFAOYSA-N
XLogP2.88
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2438676
N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7559267
N-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502162
2-({[(3,4-Dimethoxyphenyl)carbamoyl]methyl}sulfanyl)pyridine-3-carboxylic acid
CID 757776
N'-{[4-(methyloxy)phenyl]carbonyl}-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetohydrazide
CID 1136149
2-(Methylthio)-N-(3,4,5-trimethoxyphenyl)nicotinamide
CID 2437809
2-[[2-(3,4-Dimethoxyanilino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid propan-2-yl ester
CID 4296370
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-(4-acetamidophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5097842
N-(3,4-dimethoxyphenyl)-1-{[2-(methylthio)-3-pyridinyl]carbonyl}-3-piperidinamine
CID 24818884
N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 743159

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4694509) is N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)o2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LYSZPAVOQVVDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-23-13-6-5-12(8-14(13)24-2)19-15(22)10-26-17-21-20-16(25-17)11-4-3-7-18-9-11/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 372.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4694509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).