N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide

C21H31N3O3S — CID 46966356

IUPACN-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)N(CCN(C)C)C3CCS(=O)(=O)C3)c(C)[nH]c2c1
InChIInChI=1S/C21H31N3O3S/c1-14-10-15(2)21-18(16(3)22-19(21)11-14)12-20(25)24(8-7-23(4)5)17-6-9-28(26,27)13-17/h10-11,17,22H,6-9,12-13H2,1-5H3
InChIKeyUXPAORUGJWXUSY-UHFFFAOYSA-N
MW405.56 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide

N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 46966356) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
PubChem CID46966356
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)N(CCN(C)C)C3CCS(=O)(=O)C3)c(C)[nH]c2c1
InChIInChI=1S/C21H31N3O3S/c1-14-10-15(2)21-18(16(3)22-19(21)11-14)12-20(25)24(8-7-23(4)5)17-6-9-28(26,27)13-17/h10-11,17,22H,6-9,12-13H2,1-5H3
InChIKeyUXPAORUGJWXUSY-UHFFFAOYSA-N
XLogP2.21
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-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

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51504628
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702454
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 78840940
N-(2-chloro-4,6-dimethylphenyl)-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108527205
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,4,6-trimethylbenzamide
CID 110761487
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18861377
N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 51504649
2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8622003
N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)oxamide
CID 108515684
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110700040
[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8622002
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 26009338

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide (CID 46966356) is N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)N(CCN(C)C)C3CCS(=O)(=O)C3)c(C)[nH]c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is UXPAORUGJWXUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S/c1-14-10-15(2)21-18(16(3)22-19(21)11-14)12-20(25)24(8-7-23(4)5)17-6-9-28(26,27)13-17/h10-11,17,22H,6-9,12-13H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide?
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 405.56 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46966356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).