N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide

C17H22N2O3S — CID 110702454

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCN(C(=O)Cc1c(C)[nH]c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O3S/c1-3-19(13-8-9-23(21,22)11-13)17(20)10-15-12(2)18-16-7-5-4-6-14(15)16/h4-7,13,18H,3,8-11H2,1-2H3
InChIKeyLXJZCHWYNFOMGZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.05
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 110702454) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID110702454
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCN(C(=O)Cc1c(C)[nH]c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O3S/c1-3-19(13-8-9-23(21,22)11-13)17(20)10-15-12(2)18-16-7-5-4-6-14(15)16/h4-7,13,18H,3,8-11H2,1-2H3
InChIKeyLXJZCHWYNFOMGZ-UHFFFAOYSA-N
XLogP2.05
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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-(7-methyl-1H-indol-3-yl)acetamide
CID 110853744
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-(1H-indol-3-yl)butanamide
CID 8890878
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690842
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 136890060
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7853627
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108945230
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772120
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
CID 46966356
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169398
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-naphthalen-1-yloxyacetamide
CID 7851016
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide (CID 110702454) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide is CCN(C(=O)Cc1c(C)[nH]c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is LXJZCHWYNFOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-3-19(13-8-9-23(21,22)11-13)17(20)10-15-12(2)18-16-7-5-4-6-14(15)16/h4-7,13,18H,3,8-11H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 334.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110702454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).