N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide

C14H20N2OS — CID 24818600

IUPACN-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NN=C2CCCCCC2)s1
InChIInChI=1S/C14H20N2OS/c1-2-12-9-10-13(18-12)14(17)16-15-11-7-5-3-4-6-8-11/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyBNRASFXGTQPTCI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.75
Rot. Bonds3

About N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide

N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide (PubChem CID 24818600) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide
PubChem CID24818600
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NN=C2CCCCCC2)s1
InChIInChI=1S/C14H20N2OS/c1-2-12-9-10-13(18-12)14(17)16-15-11-7-5-3-4-6-8-11/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyBNRASFXGTQPTCI-UHFFFAOYSA-N
XLogP3.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide (CID 24818600) is N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NN=C2CCCCCC2)s1.
What is the InChIKey of N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide?
The InChIKey is BNRASFXGTQPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-12-9-10-13(18-12)14(17)16-15-11-7-5-3-4-6-8-11/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide?
N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 24818600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).