methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

C20H22N2O6S — CID 75538520

IUPACmethyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C20H22N2O6S/c1-20(2)16-11-13(5-10-17(16)22(19(20)24)12-18(23)28-4)21-29(25,26)15-8-6-14(27-3)7-9-15/h5-11,21H,12H2,1-4H3
InChIKeyJCLOSBVCYRKYMI-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.29
Rot. Bonds6

About methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate

methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (PubChem CID 75538520) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
PubChem CID75538520
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Namemethyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21
InChIInChI=1S/C20H22N2O6S/c1-20(2)16-11-13(5-10-17(16)22(19(20)24)12-18(23)28-4)21-29(25,26)15-8-6-14(27-3)7-9-15/h5-11,21H,12H2,1-4H3
InChIKeyJCLOSBVCYRKYMI-UHFFFAOYSA-N
XLogP2.29
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[5-[(4-methoxybenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538530
methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 22583348
methyl 2-[5-[(4-fluorobenzoyl)amino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538510
methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538513
2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-4-methoxybenzenesulfonamide
CID 40957987
methyl 2-[6-[(3-methoxyphenyl)sulfamoyl]-3-oxo-1,4-benzothiazin-4-yl]acetate
CID 20917528
N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-4-methoxybenzenesulfonamide
CID 40958331
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
methyl 2-[5-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 91959309
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105628
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate (CID 75538520) is methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(C)(C)c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21.
What is the InChIKey of methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The InChIKey is JCLOSBVCYRKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-20(2)16-11-13(5-10-17(16)22(19(20)24)12-18(23)28-4)21-29(25,26)15-8-6-14(27-3)7-9-15/h5-11,21H,12H2,1-4H3.
What are the key properties of methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate has a molecular weight of 418.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 75538520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).