N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

C21H21ClN2O6S — CID 55340959

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)ccc1Cl
InChIInChI=1S/C21H21ClN2O6S/c1-3-24(4-2)31(27,28)19-11-15(7-9-17(19)22)23-20(25)13-29-16-8-5-14-6-10-21(26)30-18(14)12-16/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeySXMPVBSBIYECGY-UHFFFAOYSA-N
MW464.93 g/mol
LogP3.49
Rot. Bonds8

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 55340959) has the molecular formula C21H21ClN2O6S and a molecular weight of 464.93 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID55340959
Molecular FormulaC21H21ClN2O6S
Molecular Weight464.93 g/mol
Exact Mass464.08
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)ccc1Cl
InChIInChI=1S/C21H21ClN2O6S/c1-3-24(4-2)31(27,28)19-11-15(7-9-17(19)22)23-20(25)13-29-16-8-5-14-6-10-21(26)30-18(14)12-16/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeySXMPVBSBIYECGY-UHFFFAOYSA-N
XLogP3.49
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
N-(2-chloro-5-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705146
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 55340959) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SXMPVBSBIYECGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O6S/c1-3-24(4-2)31(27,28)19-11-15(7-9-17(19)22)23-20(25)13-29-16-8-5-14-6-10-21(26)30-18(14)12-16/h5-12H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 464.93 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 55340959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).