N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide

C24H22N2O6S — CID 178048049

IUPACN-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide
SMILESCOc1ccc(CN2C(=O)C(O)(c3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O6S/c1-16(27)25-33(30,31)20-13-9-18(10-14-20)24(29)21-5-3-4-6-22(21)26(23(24)28)15-17-7-11-19(32-2)12-8-17/h3-14,29H,15H2,1-2H3,(H,25,27)
InChIKeyJQONBKQEBDGZCC-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.30
Rot. Bonds6

About N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide

N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide (PubChem CID 178048049) has the molecular formula C24H22N2O6S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide
PubChem CID178048049
Molecular FormulaC24H22N2O6S
Molecular Weight466.52 g/mol
Exact Mass466.12
IUPAC NameN-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide
SMILESCOc1ccc(CN2C(=O)C(O)(c3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccccc32)cc1
InChIInChI=1S/C24H22N2O6S/c1-16(27)25-33(30,31)20-13-9-18(10-14-20)24(29)21-5-3-4-6-22(21)26(23(24)28)15-17-7-11-19(32-2)12-8-17/h3-14,29H,15H2,1-2H3,(H,25,27)
InChIKeyJQONBKQEBDGZCC-UHFFFAOYSA-N
XLogP2.30
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-4-[1-[(6-chloro-3-pyridinyl)methyl]-3-hydroxy-2-oxoindol-3-yl]benzenesulfonamide
CID 178047965
N-[4-acetyl-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
CID 20896495
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
4-[1-[[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)phenyl]methyl]-3-hydroxy-2-oxoindol-3-yl]-N-tert-butylbenzenesulfonamide
CID 178048085
N-[1-[(3R)-1-benzyl-3-chloro-2-oxoindol-3-yl]-2-(4-methoxyphenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
CID 102496463
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
4-[3-hydroxy-2-oxo-1-[[4-(2-oxopiperidin-4-yl)phenyl]methyl]indol-3-yl]benzenesulfonamide
CID 178048097
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251
(3R)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588493
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588490
(3R)-3-chloro-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 97033010

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide (CID 178048049) is N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide is COc1ccc(CN2C(=O)C(O)(c3ccc(S(=O)(=O)NC(C)=O)cc3)c3ccccc32)cc1.
What is the InChIKey of N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide?
The InChIKey is JQONBKQEBDGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6S/c1-16(27)25-33(30,31)20-13-9-18(10-14-20)24(29)21-5-3-4-6-22(21)26(23(24)28)15-17-7-11-19(32-2)12-8-17/h3-14,29H,15H2,1-2H3,(H,25,27).
What are the key properties of N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide?
N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide has a molecular weight of 466.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide is sourced from PubChem (CID 178048049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).