3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide

C15H16Cl2N2O3S — CID 95661365

IUPAC3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H16Cl2N2O3S/c1-2-19(10-5-6-23(21,22)8-10)15(20)14-13(17)11-7-9(16)3-4-12(11)18-14/h3-4,7,10,18H,2,5-6,8H2,1H3/t10-/m1/s1
InChIKeyUZESPYOKNHTTBQ-SNVBAGLBSA-N
MW375.28 g/mol
LogP3.12
Rot. Bonds3

About 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide

3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide (PubChem CID 95661365) has the molecular formula C15H16Cl2N2O3S and a molecular weight of 375.28 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide
PubChem CID95661365
Molecular FormulaC15H16Cl2N2O3S
Molecular Weight375.28 g/mol
Exact Mass374.03
IUPAC Name3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H16Cl2N2O3S/c1-2-19(10-5-6-23(21,22)8-10)15(20)14-13(17)11-7-9(16)3-4-12(11)18-14/h3-4,7,10,18H,2,5-6,8H2,1H3/t10-/m1/s1
InChIKeyUZESPYOKNHTTBQ-SNVBAGLBSA-N
XLogP3.12
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51504628
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52528292
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3,4,7-trimethyl-1H-indole-2-carboxamide
CID 70746777
5-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-fluorobenzamide
CID 61112675
3-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzamide
CID 61112481
2-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 115540234
2-(2,4-dichlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7259860
(E)-3-(2,5-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylprop-2-enamide
CID 42929616
5-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylpyrazole-3-carboxamide
CID 110336249
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702454
3,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 60716770

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide (CID 95661365) is 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide is CCN(C(=O)c1[nH]c2ccc(Cl)cc2c1Cl)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
The InChIKey is UZESPYOKNHTTBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3S/c1-2-19(10-5-6-23(21,22)8-10)15(20)14-13(17)11-7-9(16)3-4-12(11)18-14/h3-4,7,10,18H,2,5-6,8H2,1H3/t10-/m1/s1.
What are the key properties of 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide?
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide has a molecular weight of 375.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 95661365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).