N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide

C20H24FN3O2S — CID 47040954

IUPACN-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(NCCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2S/c21-17-9-8-15(23-20(26)22-11-10-16-7-4-12-27-16)13-18(17)24-19(25)14-5-2-1-3-6-14/h4,7-9,12-14H,1-3,5-6,10-11H2,(H,24,25)(H2,22,23,26)
InChIKeyHVOFEUBBBRAIEG-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.77
Rot. Bonds6

About N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide

N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 47040954) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide
PubChem CID47040954
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide
SMILESO=C(NCCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C20H24FN3O2S/c21-17-9-8-15(23-20(26)22-11-10-16-7-4-12-27-16)13-18(17)24-19(25)14-5-2-1-3-6-14/h4,7-9,12-14H,1-3,5-6,10-11H2,(H,24,25)(H2,22,23,26)
InChIKeyHVOFEUBBBRAIEG-UHFFFAOYSA-N
XLogP4.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 119282883
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282882
N-[5-[(2,2-dichlorocyclopropanecarbonyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78888966

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide (CID 47040954) is N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide is O=C(NCCc1cccs1)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is HVOFEUBBBRAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-17-9-8-15(23-20(26)22-11-10-16-7-4-12-27-16)13-18(17)24-19(25)14-5-2-1-3-6-14/h4,7-9,12-14H,1-3,5-6,10-11H2,(H,24,25)(H2,22,23,26).
What are the key properties of N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide?
N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 47040954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).