N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide

C15H16N2O3S — CID 77085920

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)NC3C=CS(=O)(=O)C3)ccc21
InChIInChI=1S/C15H16N2O3S/c1-2-17-7-5-11-9-12(3-4-14(11)17)15(18)16-13-6-8-21(19,20)10-13/h3-9,13H,2,10H2,1H3,(H,16,18)
InChIKeyAGNNZGMFYAXPMO-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.70
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide (PubChem CID 77085920) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
PubChem CID77085920
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide
SMILESCCn1ccc2cc(C(=O)NC3C=CS(=O)(=O)C3)ccc21
InChIInChI=1S/C15H16N2O3S/c1-2-17-7-5-11-9-12(3-4-14(11)17)15(18)16-13-6-8-21(19,20)10-13/h3-9,13H,2,10H2,1H3,(H,16,18)
InChIKeyAGNNZGMFYAXPMO-UHFFFAOYSA-N
XLogP1.70
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72873356
1-(1-ethylindol-5-yl)butan-1-one
CID 71284644
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
2-[2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331133
N-[(2-aminoquinazolin-6-yl)methyl]-1-ethylindole-5-carboxamide
CID 172623119
4-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 177025160
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712508
6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
CID 74243181
1-(2-oxopropyl)indole-5-carboxylic acid
CID 90317816
methyl 1-ethylindole-6-carboxylate
CID 22467242
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70736281

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide (CID 77085920) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide is CCn1ccc2cc(C(=O)NC3C=CS(=O)(=O)C3)ccc21.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide?
The InChIKey is AGNNZGMFYAXPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-2-17-7-5-11-9-12(3-4-14(11)17)15(18)16-13-6-8-21(19,20)10-13/h3-9,13H,2,10H2,1H3,(H,16,18).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-ethylindole-5-carboxamide is sourced from PubChem (CID 77085920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).