N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide

C21H25N3O3S — CID 113068854

IUPACN-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc(C)c(N(CCNC(=O)Cc2c[nH]c3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C21H25N3O3S/c1-15-8-9-16(2)20(12-15)24(28(3,26)27)11-10-22-21(25)13-17-14-23-19-7-5-4-6-18(17)19/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyMKKKGYLLRGOJHB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113068854) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113068854
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc(C)c(N(CCNC(=O)Cc2c[nH]c3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C21H25N3O3S/c1-15-8-9-16(2)20(12-15)24(28(3,26)27)11-10-22-21(25)13-17-14-23-19-7-5-4-6-18(17)19/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyMKKKGYLLRGOJHB-UHFFFAOYSA-N
XLogP2.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-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

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113068984
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113068872
2-(4-chlorophenyl)-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]acetamide
CID 113068793
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 46773025
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide (CID 113068854) is N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide is Cc1ccc(C)c(N(CCNC(=O)Cc2c[nH]c3ccccc23)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is MKKKGYLLRGOJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-8-9-16(2)20(12-15)24(28(3,26)27)11-10-22-21(25)13-17-14-23-19-7-5-4-6-18(17)19/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113068854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).