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

C18H19N5O5S2 — CID 4831642

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H19N5O5S2/c1-23(2)30(25,26)13-6-7-15(27-3)14(9-13)20-16(24)11-29-18-22-21-17(28-18)12-5-4-8-19-10-12/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyGUTCGFKNDWGSPH-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.12
Rot. Bonds8

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

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4831642) has the molecular formula C18H19N5O5S2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID4831642
Molecular FormulaC18H19N5O5S2
Molecular Weight449.51 g/mol
Exact Mass449.08
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2cccnc2)o1
InChIInChI=1S/C18H19N5O5S2/c1-23(2)30(25,26)13-6-7-15(27-3)14(9-13)20-16(24)11-29-18-22-21-17(28-18)12-5-4-8-19-10-12/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyGUTCGFKNDWGSPH-UHFFFAOYSA-N
XLogP2.12
TPSA127.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(2,4-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
2-ethoxy-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 4963791
N-(2,5-Diethoxy-phenyl)-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 649342
N-(2-Methoxy-5-(piperidin-1-ylsulfonyl)phenyl)-2-(methylthio)nicotinamide
CID 3679895
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-ethoxypyridine-3-carboxamide
CID 4881981
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
2-ethoxy-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)pyridine-3-carboxamide
CID 4869303
2-ethoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 8014521

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4831642) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2cccnc2)o1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GUTCGFKNDWGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5S2/c1-23(2)30(25,26)13-6-7-15(27-3)14(9-13)20-16(24)11-29-18-22-21-17(28-18)12-5-4-8-19-10-12/h4-10H,11H2,1-3H3,(H,20,24).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4831642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).