2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide

C18H23FN2O3S — CID 56877501

IUPAC2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)CC3CCS(=O)(=O)C3)cc(F)cc2c1C
InChIInChI=1S/C18H23FN2O3S/c1-3-16-11(2)15-8-14(19)7-13(18(15)21-16)9-20-17(22)6-12-4-5-25(23,24)10-12/h7-8,12,21H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyQAXFTIRBCKREGO-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.62
Rot. Bonds5

About 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide

2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 56877501) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
PubChem CID56877501
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)CC3CCS(=O)(=O)C3)cc(F)cc2c1C
InChIInChI=1S/C18H23FN2O3S/c1-3-16-11(2)15-8-14(19)7-13(18(15)21-16)9-20-17(22)6-12-4-5-25(23,24)10-12/h7-8,12,21H,3-6,9-10H2,1-2H3,(H,20,22)
InChIKeyQAXFTIRBCKREGO-UHFFFAOYSA-N
XLogP2.62
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]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-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861427
2-[(3R)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184586
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9184590
(4S)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-morpholin-4-ylpentanamide
CID 95426875
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-3-methoxypyridine-2-carboxamide
CID 56918169
5-cyano-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 56874343
(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95552184
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
N-[[4-(dimethylamino)phenyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9305719
2-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 86907941

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide (CID 56877501) is 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide is CCc1[nH]c2c(CNC(=O)CC3CCS(=O)(=O)C3)cc(F)cc2c1C.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is QAXFTIRBCKREGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-3-16-11(2)15-8-14(19)7-13(18(15)21-16)9-20-17(22)6-12-4-5-25(23,24)10-12/h7-8,12,21H,3-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide?
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 56877501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).