N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

C16H13N3O2S — CID 108797926

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c(c2)CC(=O)N3)c(C#N)c1C
InChIInChI=1S/C16H13N3O2S/c1-8-9(2)22-16(12(8)7-17)19-15(21)10-3-4-13-11(5-10)6-14(20)18-13/h3-5H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRNOFMNSZNJHABF-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.98
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 108797926) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID108797926
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c(c2)CC(=O)N3)c(C#N)c1C
InChIInChI=1S/C16H13N3O2S/c1-8-9(2)22-16(12(8)7-17)19-15(21)10-3-4-13-11(5-10)6-14(20)18-13/h3-5H,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRNOFMNSZNJHABF-UHFFFAOYSA-N
XLogP2.98
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indazole-6-carboxamide
CID 62905439
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
CID 43981375
4-(bromomethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 102850904
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 23351902
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 17444399
2-butyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 26177315

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide (CID 108797926) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is Cc1sc(NC(=O)c2ccc3c(c2)CC(=O)N3)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is RNOFMNSZNJHABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-8-9(2)22-16(12(8)7-17)19-15(21)10-3-4-13-11(5-10)6-14(20)18-13/h3-5H,6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 108797926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).