N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide

C21H29FN2O4S — CID 47047282

IUPACN-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H29FN2O4S/c22-18-11-10-16(14-19(18)24-21(26)15-6-2-1-3-7-15)23-20(25)12-13-29(27,28)17-8-4-5-9-17/h10-11,14-15,17H,1-9,12-13H2,(H,23,25)(H,24,26)
InChIKeyQADWAYPVBYMBOC-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.03
Rot. Bonds7

About N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide

N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide (PubChem CID 47047282) has the molecular formula C21H29FN2O4S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
PubChem CID47047282
Molecular FormulaC21H29FN2O4S
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC NameN-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
SMILESO=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H29FN2O4S/c22-18-11-10-16(14-19(18)24-21(26)15-6-2-1-3-7-15)23-20(25)12-13-29(27,28)17-8-4-5-9-17/h10-11,14-15,17H,1-9,12-13H2,(H,23,25)(H,24,26)
InChIKeyQADWAYPVBYMBOC-UHFFFAOYSA-N
XLogP4.03
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
3-cyclopentylsulfonyl-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 55889543
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-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966
N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78878919
N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119711633
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55913000

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide (CID 47047282) is N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide is O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is QADWAYPVBYMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O4S/c22-18-11-10-16(14-19(18)24-21(26)15-6-2-1-3-7-15)23-20(25)12-13-29(27,28)17-8-4-5-9-17/h10-11,14-15,17H,1-9,12-13H2,(H,23,25)(H,24,26).
What are the key properties of N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 424.54 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 47047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).