N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C21H24FN3O2S — CID 47040970

IUPACN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(NC(=O)N2CCc3sccc3C2)ccc1F)C1CCCCC1
InChIInChI=1S/C21H24FN3O2S/c22-17-7-6-16(12-18(17)24-20(26)14-4-2-1-3-5-14)23-21(27)25-10-8-19-15(13-25)9-11-28-19/h6-7,9,11-12,14H,1-5,8,10,13H2,(H,23,27)(H,24,26)
InChIKeyZLYRWYGYYBBECQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.00
Rot. Bonds3

About N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 47040970) has the molecular formula C21H24FN3O2S and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID47040970
Molecular FormulaC21H24FN3O2S
Molecular Weight401.51 g/mol
Exact Mass401.16
IUPAC NameN-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1cc(NC(=O)N2CCc3sccc3C2)ccc1F)C1CCCCC1
InChIInChI=1S/C21H24FN3O2S/c22-17-7-6-16(12-18(17)24-20(26)14-4-2-1-3-5-14)23-21(27)25-10-8-19-15(13-25)9-11-28-19/h6-7,9,11-12,14H,1-5,8,10,13H2,(H,23,27)(H,24,26)
InChIKeyZLYRWYGYYBBECQ-UHFFFAOYSA-N
XLogP5.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide with MolForge

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Related Compounds

(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 52501690
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-(4-sulfamoylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24651018
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75405098

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 47040970) is N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1cc(NC(=O)N2CCc3sccc3C2)ccc1F)C1CCCCC1.
What is the InChIKey of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ZLYRWYGYYBBECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S/c22-17-7-6-16(12-18(17)24-20(26)14-4-2-1-3-5-14)23-21(27)25-10-8-19-15(13-25)9-11-28-19/h6-7,9,11-12,14H,1-5,8,10,13H2,(H,23,27)(H,24,26).
What are the key properties of N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 47040970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).