2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide

C24H34N4O4S — CID 143725310

IUPAC2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide
SMILESCc1cc(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O
InChIInChI=1S/C24H34N4O4S/c1-18(2)17-33(31,32)26-10-7-13-28-22(24(30)27-14-11-25-12-15-27)21(16-19(3)23(28)29)20-8-5-4-6-9-20/h4-6,8-9,16,18,25-26H,7,10-15,17H2,1-3H3
InChIKeyHTVAKHYHOHEMNT-UHFFFAOYSA-N
MW474.63 g/mol
LogP1.83
Rot. Bonds9

About 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide

2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide (PubChem CID 143725310) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide
PubChem CID143725310
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide
SMILESCc1cc(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O
InChIInChI=1S/C24H34N4O4S/c1-18(2)17-33(31,32)26-10-7-13-28-22(24(30)27-14-11-25-12-15-27)21(16-19(3)23(28)29)20-8-5-4-6-9-20/h4-6,8-9,16,18,25-26H,7,10-15,17H2,1-3H3
InChIKeyHTVAKHYHOHEMNT-UHFFFAOYSA-N
XLogP1.83
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide (CID 143725310) is 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide is Cc1cc(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCCNS(=O)(=O)CC(C)C)c1=O.
What is the InChIKey of 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide?
The InChIKey is HTVAKHYHOHEMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-18(2)17-33(31,32)26-10-7-13-28-22(24(30)27-14-11-25-12-15-27)21(16-19(3)23(28)29)20-8-5-4-6-9-20/h4-6,8-9,16,18,25-26H,7,10-15,17H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide?
2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide has a molecular weight of 474.63 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-methyl-2-oxo-5-phenyl-6-(piperazine-1-carbonyl)-1-pyridinyl]propyl]propane-1-sulfonamide is sourced from PubChem (CID 143725310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).