2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

C23H26FN3O4S — CID 50767659

IUPAC2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F
InChIInChI=1S/C23H26FN3O4S/c1-15-6-7-16(12-19(15)24)25-21(28)14-27-20-9-8-17(13-18(20)23(2,3)22(27)29)32(30,31)26-10-4-5-11-26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,28)
InChIKeyRVIVXRLJXWTLLA-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.18
Rot. Bonds5

About 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 50767659) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID50767659
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Name2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F
InChIInChI=1S/C23H26FN3O4S/c1-15-6-7-16(12-19(15)24)25-21(28)14-27-20-9-8-17(13-18(20)23(2,3)22(27)29)32(30,31)26-10-4-5-11-26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,28)
InChIKeyRVIVXRLJXWTLLA-UHFFFAOYSA-N
XLogP3.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50767546
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 50767853
N-(4-chlorophenyl)-2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070576
2-[3,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 94070615
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 50767660
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767527
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 50767830
2-[3,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
CID 50767803
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-pyridin-3-ylacetamide
CID 50767791
2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 50767603
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5190053

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 50767659) is 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)C(C)(C)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1F.
What is the InChIKey of 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is RVIVXRLJXWTLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-15-6-7-16(12-19(15)24)25-21(28)14-27-20-9-8-17(13-18(20)23(2,3)22(27)29)32(30,31)26-10-4-5-11-26/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,25,28).
What are the key properties of 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 459.54 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 50767659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).