N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide

C15H11N3OS — CID 26187225

IUPACN-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H11N3OS/c16-8-10-5-6-20-15(10)18-14(19)7-11-9-17-13-4-2-1-3-12(11)13/h1-6,9,17H,7H2,(H,18,19)
InChIKeyNYWFRTSMNKQFHQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.28
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide

N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 26187225) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID26187225
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC NameN-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H11N3OS/c16-8-10-5-6-20-15(10)18-14(19)7-11-9-17-13-4-2-1-3-12(11)13/h1-6,9,17H,7H2,(H,18,19)
InChIKeyNYWFRTSMNKQFHQ-UHFFFAOYSA-N
XLogP3.28
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.28
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
2-(1H-indol-3-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 17398563
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
2-(1H-indol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101093
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N'-(2-cyanoethyl)-2-(1H-indol-3-yl)acetohydrazide
CID 10857646
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide (CID 26187225) is N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide is N#Cc1ccsc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is NYWFRTSMNKQFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-8-10-5-6-20-15(10)18-14(19)7-11-9-17-13-4-2-1-3-12(11)13/h1-6,9,17H,7H2,(H,18,19).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 281.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 26187225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).