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

C19H25N3O4S — CID 53161484

IUPACN-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C19H25N3O4S/c1-5-12-21(4)18(23)13-22-15(3)8-11-17(19(22)24)20-27(25,26)16-9-6-14(2)7-10-16/h6-11,20H,5,12-13H2,1-4H3
InChIKeyMRIBIZWHXRSELW-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.13
Rot. Bonds7

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

N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide (PubChem CID 53161484) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound NameN-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
PubChem CID53161484
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C19H25N3O4S/c1-5-12-21(4)18(23)13-22-15(3)8-11-17(19(22)24)20-27(25,26)16-9-6-14(2)7-10-16/h6-11,20H,5,12-13H2,1-4H3
InChIKeyMRIBIZWHXRSELW-UHFFFAOYSA-N
XLogP2.13
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The IUPAC name of N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide (CID 53161484) is N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide.
What is the SMILES notation for N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The canonical SMILES for N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide is CCCN(C)C(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
The InChIKey is MRIBIZWHXRSELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-12-21(4)18(23)13-22-15(3)8-11-17(19(22)24)20-27(25,26)16-9-6-14(2)7-10-16/h6-11,20H,5,12-13H2,1-4H3.
What are the key properties of N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide?
N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide has a molecular weight of 391.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 53161484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).