2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide

C21H29N3O5S2 — CID 24579788

IUPAC2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCC(=O)N(C)Cc2cccc(OC)c2OC)nc1
InChIInChI=1S/C21H29N3O5S2/c1-6-24(7-2)31(26,27)17-11-12-19(22-13-17)30-15-20(25)23(3)14-16-9-8-10-18(28-4)21(16)29-5/h8-13H,6-7,14-15H2,1-5H3
InChIKeyOYBMFNMXOXFJFC-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.88
Rot. Bonds11

About 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide

2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 24579788) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID24579788
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC Name2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(SCC(=O)N(C)Cc2cccc(OC)c2OC)nc1
InChIInChI=1S/C21H29N3O5S2/c1-6-24(7-2)31(26,27)17-11-12-19(22-13-17)30-15-20(25)23(3)14-16-9-8-10-18(28-4)21(16)29-5/h8-13H,6-7,14-15H2,1-5H3
InChIKeyOYBMFNMXOXFJFC-UHFFFAOYSA-N
XLogP2.88
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-ethoxyphenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40664186
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24573689
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24639617
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
2-[1-(4-butylphenyl)tetrazol-5-yl]sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24573540
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 30329873
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24523120
N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 8966714
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 24578264
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide (CID 24579788) is 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is CCN(CC)S(=O)(=O)c1ccc(SCC(=O)N(C)Cc2cccc(OC)c2OC)nc1.
What is the InChIKey of 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is OYBMFNMXOXFJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-6-24(7-2)31(26,27)17-11-12-19(22-13-17)30-15-20(25)23(3)14-16-9-8-10-18(28-4)21(16)29-5/h8-13H,6-7,14-15H2,1-5H3.
What are the key properties of 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide?
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 467.61 g/mol, XLogP of 2.88, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 24579788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).