2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide

C19H24N2O3S — CID 56861427

IUPAC2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)CC3C=CS(=O)(=O)C3)cc(C)cc2c1C
InChIInChI=1S/C19H24N2O3S/c1-4-17-13(3)16-8-12(2)7-15(19(16)21-17)10-20-18(22)9-14-5-6-25(23,24)11-14/h5-8,14,21H,4,9-11H2,1-3H3,(H,20,22)
InChIKeySKOSHZRMSKYDSD-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.91
Rot. Bonds5

About 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide

2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide (PubChem CID 56861427) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
PubChem CID56861427
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)CC3C=CS(=O)(=O)C3)cc(C)cc2c1C
InChIInChI=1S/C19H24N2O3S/c1-4-17-13(3)16-8-12(2)7-15(19(16)21-17)10-20-18(22)9-14-5-6-25(23,24)11-14/h5-8,14,21H,4,9-11H2,1-3H3,(H,20,22)
InChIKeySKOSHZRMSKYDSD-UHFFFAOYSA-N
XLogP2.91
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide (CID 56861427) is 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide is CCc1[nH]c2c(CNC(=O)CC3C=CS(=O)(=O)C3)cc(C)cc2c1C.
What is the InChIKey of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
The InChIKey is SKOSHZRMSKYDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-17-13(3)16-8-12(2)7-15(19(16)21-17)10-20-18(22)9-14-5-6-25(23,24)11-14/h5-8,14,21H,4,9-11H2,1-3H3,(H,20,22).
What are the key properties of 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide?
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide is sourced from PubChem (CID 56861427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).