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

C23H24N2O3S — CID 70767278

IUPACN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCc1cc(CNC(=O)CC2C=CS(=O)(=O)C2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C23H24N2O3S/c1-15-10-19(13-24-21(26)12-17-8-9-29(27,28)14-17)23-20(11-15)16(2)22(25-23)18-6-4-3-5-7-18/h3-11,17,25H,12-14H2,1-2H3,(H,24,26)
InChIKeyWUTFEHXRKJOKFA-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.02
Rot. Bonds5

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

N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (PubChem CID 70767278) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
PubChem CID70767278
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
SMILESCc1cc(CNC(=O)CC2C=CS(=O)(=O)C2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C23H24N2O3S/c1-15-10-19(13-24-21(26)12-17-8-9-29(27,28)14-17)23-20(11-15)16(2)22(25-23)18-6-4-3-5-7-18/h3-11,17,25H,12-14H2,1-2H3,(H,24,26)
InChIKeyWUTFEHXRKJOKFA-UHFFFAOYSA-N
XLogP4.02
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide (CID 70767278) is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is Cc1cc(CNC(=O)CC2C=CS(=O)(=O)C2)c2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
The InChIKey is WUTFEHXRKJOKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15-10-19(13-24-21(26)12-17-8-9-29(27,28)14-17)23-20(11-15)16(2)22(25-23)18-6-4-3-5-7-18/h3-11,17,25H,12-14H2,1-2H3,(H,24,26).
What are the key properties of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide?
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide is sourced from PubChem (CID 70767278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).