N-(2-cyanoethyl)thiophene-2-carboxamide

C8H8N2OS — CID 60656092

IUPACN-(2-cyanoethyl)thiophene-2-carboxamide
SMILESN#CCCNC(=O)c1cccs1
InChIInChI=1S/C8H8N2OS/c9-4-2-5-10-8(11)7-3-1-6-12-7/h1,3,6H,2,5H2,(H,10,11)
InChIKeyFBYLCCJTNXHQNX-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.39
Rot. Bonds3

About N-(2-cyanoethyl)thiophene-2-carboxamide

N-(2-cyanoethyl)thiophene-2-carboxamide (PubChem CID 60656092) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is N-(2-cyanoethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)thiophene-2-carboxamide
PubChem CID60656092
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC NameN-(2-cyanoethyl)thiophene-2-carboxamide
SMILESN#CCCNC(=O)c1cccs1
InChIInChI=1S/C8H8N2OS/c9-4-2-5-10-8(11)7-3-1-6-12-7/h1,3,6H,2,5H2,(H,10,11)
InChIKeyFBYLCCJTNXHQNX-UHFFFAOYSA-N
XLogP1.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-4-(thiophene-2-carbonylamino)-1H-pyrazole-5-carboxamide
CID 68989743
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[2-[(2,2-dichloroacetyl)amino]ethyl]thiophene-2-carboxamide
CID 108573968
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)thiophene-2-carboxamide (CID 60656092) is N-(2-cyanoethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)thiophene-2-carboxamide is N#CCCNC(=O)c1cccs1.
What is the InChIKey of N-(2-cyanoethyl)thiophene-2-carboxamide?
The InChIKey is FBYLCCJTNXHQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c9-4-2-5-10-8(11)7-3-1-6-12-7/h1,3,6H,2,5H2,(H,10,11).
What are the key properties of N-(2-cyanoethyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)thiophene-2-carboxamide has a molecular weight of 180.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60656092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).