2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide

C24H43N3O3S — CID 18988684

IUPAC2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCCCCCCCCN(CCCCCCCC)S(=O)(=O)CC(=O)Nc1ncccc1C
InChIInChI=1S/C24H43N3O3S/c1-4-6-8-10-12-14-19-27(20-15-13-11-9-7-5-2)31(29,30)21-23(28)26-24-22(3)17-16-18-25-24/h16-18H,4-15,19-21H2,1-3H3,(H,25,26,28)
InChIKeyDDDUHWYYNHUHHY-UHFFFAOYSA-N
MW453.69 g/mol
LogP5.68
Rot. Bonds18

About 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide

2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 18988684) has the molecular formula C24H43N3O3S and a molecular weight of 453.69 g/mol. Its IUPAC name is 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID18988684
Molecular FormulaC24H43N3O3S
Molecular Weight453.69 g/mol
Exact Mass453.30
IUPAC Name2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCCCCCCCCN(CCCCCCCC)S(=O)(=O)CC(=O)Nc1ncccc1C
InChIInChI=1S/C24H43N3O3S/c1-4-6-8-10-12-14-19-27(20-15-13-11-9-7-5-2)31(29,30)21-23(28)26-24-22(3)17-16-18-25-24/h16-18H,4-15,19-21H2,1-3H3,(H,25,26,28)
InChIKeyDDDUHWYYNHUHHY-UHFFFAOYSA-N
XLogP5.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.69
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
1-butyl-3-(3-methyl-2-pyridinyl)thiourea
CID 19685982
N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096727
3-[(3-methyl-2-pyridinyl)-pentylamino]propanoic acid
CID 82318176
3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
CID 81070527

Frequently Asked Questions

What is the IUPAC name of 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide (CID 18988684) is 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide is CCCCCCCCN(CCCCCCCC)S(=O)(=O)CC(=O)Nc1ncccc1C.
What is the InChIKey of 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is DDDUHWYYNHUHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O3S/c1-4-6-8-10-12-14-19-27(20-15-13-11-9-7-5-2)31(29,30)21-23(28)26-24-22(3)17-16-18-25-24/h16-18H,4-15,19-21H2,1-3H3,(H,25,26,28).
What are the key properties of 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide?
2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 453.69 g/mol, XLogP of 5.68, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioctylsulfamoyl)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 18988684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).