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

C19H25N3O4S — CID 53161491

IUPACN,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C19H25N3O4S/c1-5-21(6-2)18(23)13-22-15(4)9-12-17(19(22)24)20-27(25,26)16-10-7-14(3)8-11-16/h7-12,20H,5-6,13H2,1-4H3
InChIKeyJCHBMRIGKDQNRJ-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.13
Rot. Bonds7

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

N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161491) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID53161491
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)C(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C19H25N3O4S/c1-5-21(6-2)18(23)13-22-15(4)9-12-17(19(22)24)20-27(25,26)16-10-7-14(3)8-11-16/h7-12,20H,5-6,13H2,1-4H3
InChIKeyJCHBMRIGKDQNRJ-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,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 53161491) is N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is CCN(CC)C(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is JCHBMRIGKDQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-21(6-2)18(23)13-22-15(4)9-12-17(19(22)24)20-27(25,26)16-10-7-14(3)8-11-16/h7-12,20H,5-6,13H2,1-4H3.
What are the key properties of N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide 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,N-diethyl-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).