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

C21H25N3O3S — CID 113068984

IUPACN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1cc(C)cc(N(CCNC(=O)Cc2c[nH]c3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C21H25N3O3S/c1-15-10-16(2)12-18(11-15)24(28(3,26)27)9-8-22-21(25)13-17-14-23-20-7-5-4-6-19(17)20/h4-7,10-12,14,23H,8-9,13H2,1-3H3,(H,22,25)
InChIKeySBRJVEMOZOCLLU-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.91
Rot. Bonds7

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

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113068984) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113068984
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCc1cc(C)cc(N(CCNC(=O)Cc2c[nH]c3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C21H25N3O3S/c1-15-10-16(2)12-18(11-15)24(28(3,26)27)9-8-22-21(25)13-17-14-23-20-7-5-4-6-19(17)20/h4-7,10-12,14,23H,8-9,13H2,1-3H3,(H,22,25)
InChIKeySBRJVEMOZOCLLU-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

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Related Compounds

2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113068854
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977
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-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[[3-(dimethylamino)phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 47088608
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
N-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113070154
N-[[4-(dimethylamino)phenyl]methyl]-4-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 53288361

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide (CID 113068984) is N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide is Cc1cc(C)cc(N(CCNC(=O)Cc2c[nH]c3ccccc23)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is SBRJVEMOZOCLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-10-16(2)12-18(11-15)24(28(3,26)27)9-8-22-21(25)13-17-14-23-20-7-5-4-6-19(17)20/h4-7,10-12,14,23H,8-9,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(3,5-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-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113068984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).