N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C24H33N3O4S — CID 50767660

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C24H33N3O4S/c1-24(2)20-16-19(32(30,31)26-14-6-7-15-26)10-11-21(20)27(23(24)29)17-22(28)25-13-12-18-8-4-3-5-9-18/h8,10-11,16H,3-7,9,12-15,17H2,1-2H3,(H,25,28)
InChIKeyWIILHCAMEVUIBR-UHFFFAOYSA-N
MW459.61 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 50767660) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID50767660
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESCC1(C)C(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(S(=O)(=O)N3CCCC3)cc21
InChIInChI=1S/C24H33N3O4S/c1-24(2)20-16-19(32(30,31)26-14-6-7-15-26)10-11-21(20)27(23(24)29)17-22(28)25-13-12-18-8-4-3-5-9-18/h8,10-11,16H,3-7,9,12-15,17H2,1-2H3,(H,25,28)
InChIKeyWIILHCAMEVUIBR-UHFFFAOYSA-N
XLogP3.10
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methoxyphenyl)methyl]acetamide
CID 22583332
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-phenylpropyl)acetamide
CID 50767600
2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 50767659
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
N-[(2-chlorophenyl)methyl]-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767805
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
3,3-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767646
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92714844
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 50767840
N-cyclopropyl-2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)acetamide
CID 50767777
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,3-dimethyl-5-pyrrolidin-1-ylsulfonylindol-2-one
CID 50767720

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 50767660) is N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is CC1(C)C(=O)N(CC(=O)NCCC2=CCCCC2)c2ccc(S(=O)(=O)N3CCCC3)cc21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is WIILHCAMEVUIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-24(2)20-16-19(32(30,31)26-14-6-7-15-26)10-11-21(20)27(23(24)29)17-22(28)25-13-12-18-8-4-3-5-9-18/h8,10-11,16H,3-7,9,12-15,17H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 459.61 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 50767660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).