N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide

C21H25FN2O4S — CID 52866213

IUPACN-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-4-7-8-21(25)23-19-15-18(29(26,27)24(5-2)6-3)13-14-20(19)28-17-11-9-16(22)10-12-17/h4,9-15H,1,5-8H2,2-3H3,(H,23,25)
InChIKeyUTLLVKXCVCLRSK-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.55
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide

N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide (PubChem CID 52866213) has the molecular formula C21H25FN2O4S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
PubChem CID52866213
Molecular FormulaC21H25FN2O4S
Molecular Weight420.51 g/mol
Exact Mass420.15
IUPAC NameN-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4S/c1-4-7-8-21(25)23-19-15-18(29(26,27)24(5-2)6-3)13-14-20(19)28-17-11-9-16(22)10-12-17/h4,9-15H,1,5-8H2,2-3H3,(H,23,25)
InChIKeyUTLLVKXCVCLRSK-UHFFFAOYSA-N
XLogP4.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
CID 43077587
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-fluorophenoxy)propanamide
CID 43000311
4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 42996302
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509301
N-[5-(diethylsulfamoyl)-2-(4-ethoxyphenoxy)phenyl]furan-3-carboxamide
CID 34132202

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide (CID 52866213) is N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide is C=CCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Oc1ccc(F)cc1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide?
The InChIKey is UTLLVKXCVCLRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4S/c1-4-7-8-21(25)23-19-15-18(29(26,27)24(5-2)6-3)13-14-20(19)28-17-11-9-16(22)10-12-17/h4,9-15H,1,5-8H2,2-3H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide?
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide has a molecular weight of 420.51 g/mol, XLogP of 4.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide is sourced from PubChem (CID 52866213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).