2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

C24H24N2O4S — CID 95183078

IUPAC2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-16-14-17(2)26(24(28)23(16)31(29,30)19-9-4-3-5-10-19)15-22(27)25-21-13-12-18-8-6-7-11-20(18)21/h3-11,14,21H,12-13,15H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyLRUSXUBOSCNBEI-OAQYLSRUSA-N
MW436.53 g/mol
LogP3.10
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 95183078) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID95183078
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-16-14-17(2)26(24(28)23(16)31(29,30)19-9-4-3-5-10-19)15-22(27)25-21-13-12-18-8-6-7-11-20(18)21/h3-11,14,21H,12-13,15H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyLRUSXUBOSCNBEI-OAQYLSRUSA-N
XLogP3.10
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 53054653
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7802621
N-(2,3-dihydro-1H-inden-1-yl)-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 50926619
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 95181824
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95181257
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4831564
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(2R)-5,5-dimethyl-3-oxo-1-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-yl]acetamide
CID 91025194
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 95183078) is 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is Cc1cc(C)n(CC(=O)N[C@@H]2CCc3ccccc32)c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is LRUSXUBOSCNBEI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-16-14-17(2)26(24(28)23(16)31(29,30)19-9-4-3-5-10-19)15-22(27)25-21-13-12-18-8-6-7-11-20(18)21/h3-11,14,21H,12-13,15H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4,6-dimethyl-2-oxo-1-pyridinyl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 95183078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).