N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide

C18H23N3O4S2 — CID 4793905

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C18H23N3O4S2/c1-4-21(5-2)27(23,24)14-9-10-16(25-3)15(12-14)20-17(22)13-26-18-8-6-7-11-19-18/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyYMCCQSJQKHJZJP-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.85
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 4793905) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID4793905
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccn2)c1
InChIInChI=1S/C18H23N3O4S2/c1-4-21(5-2)27(23,24)14-9-10-16(25-3)15(12-14)20-17(22)13-26-18-8-6-7-11-19-18/h6-12H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyYMCCQSJQKHJZJP-UHFFFAOYSA-N
XLogP2.85
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 42983279
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
2-(5-chloro-2-pyrazol-1-ylanilino)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55918502
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 25409083
2-(5-chloroquinolin-8-yl)oxy-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 55355338
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide (CID 4793905) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccn2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is YMCCQSJQKHJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-4-21(5-2)27(23,24)14-9-10-16(25-3)15(12-14)20-17(22)13-26-18-8-6-7-11-19-18/h6-12H,4-5,13H2,1-3H3,(H,20,22).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 409.53 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 4793905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).