N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide

C18H19FN2O2S — CID 4204024

IUPACN-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2S/c19-13-8-6-12(7-9-13)17(22)21-15-10-11-24-16(15)18(23)20-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,23)(H,21,22)
InChIKeyJDIGPHCBSICQLW-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.20
Rot. Bonds4

About N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide

N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide (PubChem CID 4204024) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide
PubChem CID4204024
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2S/c19-13-8-6-12(7-9-13)17(22)21-15-10-11-24-16(15)18(23)20-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,23)(H,21,22)
InChIKeyJDIGPHCBSICQLW-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-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-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide?
The IUPAC name of N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide (CID 4204024) is N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide is O=C(Nc1ccsc1C(=O)NC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide?
The InChIKey is JDIGPHCBSICQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-13-8-6-12(7-9-13)17(22)21-15-10-11-24-16(15)18(23)20-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,23)(H,21,22).
What are the key properties of N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide?
N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(4-fluorobenzoyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 4204024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).