N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

C22H23N3O4S — CID 53161469

IUPACN-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-8-11-19(12-9-16)30(28,29)24-20-13-10-17(2)25(22(20)27)15-21(26)23-14-18-6-4-3-5-7-18/h3-13,24H,14-15H2,1-2H3,(H,23,26)
InChIKeyHBDOZRCLNWEOAG-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.58
Rot. Bonds7

About N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide

N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161469) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID53161469
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1
InChIInChI=1S/C22H23N3O4S/c1-16-8-11-19(12-9-16)30(28,29)24-20-13-10-17(2)25(22(20)27)15-21(26)23-14-18-6-4-3-5-7-18/h3-13,24H,14-15H2,1-2H3,(H,23,26)
InChIKeyHBDOZRCLNWEOAG-UHFFFAOYSA-N
XLogP2.58
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 53161469) is N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCc3ccccc3)c2=O)cc1.
What is the InChIKey of N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is HBDOZRCLNWEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-8-11-19(12-9-16)30(28,29)24-20-13-10-17(2)25(22(20)27)15-21(26)23-14-18-6-4-3-5-7-18/h3-13,24H,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).