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

C20H27N3O4S — CID 53161463

IUPACN-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C20H27N3O4S/c1-6-20(4,5)21-18(24)13-23-15(3)9-12-17(19(23)25)22-28(26,27)16-10-7-14(2)8-11-16/h7-12,22H,6,13H2,1-5H3,(H,21,24)
InChIKeyKAYWFLIQLMVKKB-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.57
Rot. Bonds7

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

N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161463) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID53161463
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
SMILESCCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O
InChIInChI=1S/C20H27N3O4S/c1-6-20(4,5)21-18(24)13-23-15(3)9-12-17(19(23)25)22-28(26,27)16-10-7-14(2)8-11-16/h7-12,22H,6,13H2,1-5H3,(H,21,24)
InChIKeyKAYWFLIQLMVKKB-UHFFFAOYSA-N
XLogP2.57
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide (CID 53161463) is N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is CCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is KAYWFLIQLMVKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-6-20(4,5)21-18(24)13-23-15(3)9-12-17(19(23)25)22-28(26,27)16-10-7-14(2)8-11-16/h7-12,22H,6,13H2,1-5H3,(H,21,24).
What are the key properties of N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide?
N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).