2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C18H23N3O4S2 — CID 8956341

IUPAC2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1
InChIInChI=1S/C18H23N3O4S2/c1-14-4-6-15(7-5-14)26-11-10-19-17(22)13-21-12-16(8-9-18(21)23)27(24,25)20(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,22)
InChIKeySUASSVOPQYWUJT-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.32
Rot. Bonds8

About 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 8956341) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID8956341
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1
InChIInChI=1S/C18H23N3O4S2/c1-14-4-6-15(7-5-14)26-11-10-19-17(22)13-21-12-16(8-9-18(21)23)27(24,25)20(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,22)
InChIKeySUASSVOPQYWUJT-UHFFFAOYSA-N
XLogP1.32
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 8956341) is 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)Cn2cc(S(=O)(=O)N(C)C)ccc2=O)cc1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is SUASSVOPQYWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-14-4-6-15(7-5-14)26-11-10-19-17(22)13-21-12-16(8-9-18(21)23)27(24,25)20(2)3/h4-9,12H,10-11,13H2,1-3H3,(H,19,22).
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 409.53 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 8956341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).