N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide

C17H22N2O3S — CID 110762572

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
SMILESCCN(C(=O)c1c(C)n(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O3S/c1-4-19(13-9-10-23(21,22)11-13)17(20)16-12(2)18(3)15-8-6-5-7-14(15)16/h5-8,13H,4,9-11H2,1-3H3
InChIKeyUVUXEMXMCREJOP-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.14
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide (PubChem CID 110762572) 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-1,2-dimethylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
PubChem CID110762572
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide
SMILESCCN(C(=O)c1c(C)n(C)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H22N2O3S/c1-4-19(13-9-10-23(21,22)11-13)17(20)16-12(2)18(3)15-8-6-5-7-14(15)16/h5-8,13H,4,9-11H2,1-3H3
InChIKeyUVUXEMXMCREJOP-UHFFFAOYSA-N
XLogP2.14
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methylindol-3-yl)sulfanylacetamide
CID 97133847
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N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 9441718
N-(1,1-dioxothiolan-3-yl)-N,1-dimethyl-2-oxoquinoline-4-carboxamide
CID 110694489
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108945230
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylquinoxaline-2-carboxamide
CID 110853820
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxopyran-3-carboxamide
CID 110697481
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766519
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
1-N-(1,1-dioxothiolan-3-yl)-1-N-ethyl-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067011

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide (CID 110762572) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide is CCN(C(=O)c1c(C)n(C)c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide?
The InChIKey is UVUXEMXMCREJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-19(13-9-10-23(21,22)11-13)17(20)16-12(2)18(3)15-8-6-5-7-14(15)16/h5-8,13H,4,9-11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2-dimethylindole-3-carboxamide is sourced from PubChem (CID 110762572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).