2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C23H24N2O5S — CID 92884777

IUPAC2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C23H24N2O5S/c1-16-9-10-20-17(12-16)13-21(31(28,29)19-7-3-2-4-8-19)23(27)25(20)15-22(26)24-14-18-6-5-11-30-18/h2-4,7-10,12-13,18H,5-6,11,14-15H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyWCSOABYZHICUBM-GOSISDBHSA-N
MW440.52 g/mol
LogP2.44
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 92884777) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID92884777
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C23H24N2O5S/c1-16-9-10-20-17(12-16)13-21(31(28,29)19-7-3-2-4-8-19)23(27)25(20)15-22(26)24-14-18-6-5-11-30-18/h2-4,7-10,12-13,18H,5-6,11,14-15H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyWCSOABYZHICUBM-GOSISDBHSA-N
XLogP2.44
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-[6-methyl-3-[(4-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 53161461
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-[4-methyl-2-(4-methylsulfanylphenyl)sulfonylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 22304789
2-[[4-(benzenesulfonyl)-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4605621
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N-(oxolan-2-ylmethyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 126457292

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 92884777) is 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1ccc2c(c1)cc(S(=O)(=O)c1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is WCSOABYZHICUBM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16-9-10-20-17(12-16)13-21(31(28,29)19-7-3-2-4-8-19)23(27)25(20)15-22(26)24-14-18-6-5-11-30-18/h2-4,7-10,12-13,18H,5-6,11,14-15H2,1H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 440.52 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6-methyl-2-oxoquinolin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 92884777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).