N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C25H28N2O6S — CID 108736368

IUPACN-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(=O)(=O)NC4CCCC4)cc3)ccc12
InChIInChI=1S/C25H28N2O6S/c1-17-14-25(29)33-23-15-20(8-11-22(17)23)32-16-24(28)26-13-12-18-6-9-21(10-7-18)34(30,31)27-19-4-2-3-5-19/h6-11,14-15,19,27H,2-5,12-13,16H2,1H3,(H,26,28)
InChIKeySLQLQDVDWBQODI-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.06
Rot. Bonds9

About N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 108736368) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID108736368
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(=O)(=O)NC4CCCC4)cc3)ccc12
InChIInChI=1S/C25H28N2O6S/c1-17-14-25(29)33-23-15-20(8-11-22(17)23)32-16-24(28)26-13-12-18-6-9-21(10-7-18)34(30,31)27-19-4-2-3-5-19/h6-11,14-15,19,27H,2-5,12-13,16H2,1H3,(H,26,28)
InChIKeySLQLQDVDWBQODI-UHFFFAOYSA-N
XLogP3.06
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]acetamide
CID 108759391
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 45374111
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 907483
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N-[3-(dimethylamino)propyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 4911670
N-[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 26003137
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4910874
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-pentylacetamide
CID 45375351
N-butyl-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374355
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 108736368) is N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(=O)(=O)NC4CCCC4)cc3)ccc12.
What is the InChIKey of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SLQLQDVDWBQODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-17-14-25(29)33-23-15-20(8-11-22(17)23)32-16-24(28)26-13-12-18-6-9-21(10-7-18)34(30,31)27-19-4-2-3-5-19/h6-11,14-15,19,27H,2-5,12-13,16H2,1H3,(H,26,28).
What are the key properties of N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 484.57 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 108736368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).