N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide

C16H13N3OS — CID 43981400

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
SMILESCc1sc(NC(=O)c2c[nH]c3ccccc23)c(C#N)c1C
InChIInChI=1S/C16H13N3OS/c1-9-10(2)21-16(12(9)7-17)19-15(20)13-8-18-14-6-4-3-5-11(13)14/h3-6,8,18H,1-2H3,(H,19,20)
InChIKeyRVQNYDFDRUJJGL-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.97
Rot. Bonds2

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide (PubChem CID 43981400) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
PubChem CID43981400
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
SMILESCc1sc(NC(=O)c2c[nH]c3ccccc23)c(C#N)c1C
InChIInChI=1S/C16H13N3OS/c1-9-10(2)21-16(12(9)7-17)19-15(20)13-8-18-14-6-4-3-5-11(13)14/h3-6,8,18H,1-2H3,(H,19,20)
InChIKeyRVQNYDFDRUJJGL-UHFFFAOYSA-N
XLogP3.97
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanothiophen-2-yl)-1H-indole-3-carboxamide
CID 60659752
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 1246228
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4137707
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
CID 18089620
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
CID 115745600
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 60630447
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 3258353
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7634588
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 7634587
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
(3-cyano-4,5-dimethylthiophen-2-yl)urea
CID 130621892

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide (CID 43981400) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide is Cc1sc(NC(=O)c2c[nH]c3ccccc23)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide?
The InChIKey is RVQNYDFDRUJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-9-10(2)21-16(12(9)7-17)19-15(20)13-8-18-14-6-4-3-5-11(13)14/h3-6,8,18H,1-2H3,(H,19,20).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43981400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).