N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide

C21H24FN3O4S — CID 22518709

IUPACN-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H24FN3O4S/c1-21(2)17-11-16(9-10-18(17)25(4)20(21)27)30(28,29)24(3)13-19(26)23-12-14-5-7-15(22)8-6-14/h5-11H,12-13H2,1-4H3,(H,23,26)
InChIKeyDRARTYDBVYJTNQ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.02
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide

N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide (PubChem CID 22518709) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
PubChem CID22518709
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(F)cc3)ccc21
InChIInChI=1S/C21H24FN3O4S/c1-21(2)17-11-16(9-10-18(17)25(4)20(21)27)30(28,29)24(3)13-19(26)23-12-14-5-7-15(22)8-6-14/h5-11H,12-13H2,1-4H3,(H,23,26)
InChIKeyDRARTYDBVYJTNQ-UHFFFAOYSA-N
XLogP2.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518658
N-[2-(4-methylphenyl)ethyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518700
N-[(4-fluorophenyl)methyl]-2-(1,3,3-trimethyl-2-oxoindol-5-yl)acetamide
CID 110771024
N-(3,5-dimethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518675
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
N-(3-methylphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518738
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92681437
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862475
N-(4-ethoxyphenyl)-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide
CID 22518685
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22518713

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide (CID 22518709) is N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(F)cc3)ccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
The InChIKey is DRARTYDBVYJTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-21(2)17-11-16(9-10-18(17)25(4)20(21)27)30(28,29)24(3)13-19(26)23-12-14-5-7-15(22)8-6-14/h5-11H,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[methyl-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 22518709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).