N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide

C15H20N2OS — CID 78969874

IUPACN-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C15H20N2OS/c1-2-12-7-10-19-13(12)14(18)17-15(11-16)8-5-3-4-6-9-15/h7,10H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyPLNAPOSFMPHQEH-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.66
Rot. Bonds3

About N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide

N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide (PubChem CID 78969874) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
PubChem CID78969874
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C15H20N2OS/c1-2-12-7-10-19-13(12)14(18)17-15(11-16)8-5-3-4-6-9-15/h7,10H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyPLNAPOSFMPHQEH-UHFFFAOYSA-N
XLogP3.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
CID 54904547
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
CID 112731234
2-[(3-ethylthiophene-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546463
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide
CID 65205363
N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide
CID 65205161
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide (CID 78969874) is N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is PLNAPOSFMPHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-12-7-10-19-13(12)14(18)17-15(11-16)8-5-3-4-6-9-15/h7,10H,2-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide?
N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 78969874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).