N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide

C21H26N2O6S2 — CID 16566573

IUPACN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C21H26N2O6S2/c1-3-23(4-2)31(27,28)18-10-11-20(29-17-8-6-5-7-9-17)19(14-18)22-21(24)16-12-13-30(25,26)15-16/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)
InChIKeyRXYNPSUBZTUISS-UHFFFAOYSA-N
MW466.58 g/mol
LogP2.88
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide

N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 16566573) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID16566573
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C21H26N2O6S2/c1-3-23(4-2)31(27,28)18-10-11-20(29-17-8-6-5-7-9-17)19(14-18)22-21(24)16-12-13-30(25,26)15-16/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)
InChIKeyRXYNPSUBZTUISS-UHFFFAOYSA-N
XLogP2.88
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566586
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
CID 42997357
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 42996302
(3S)-N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 26201209
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxamide
CID 167989447
5-bromo-N-[2-(4-bromophenoxy)-5-(diethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 166353809
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3162267
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
CID 43077587

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide (CID 16566573) is N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is RXYNPSUBZTUISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c1-3-23(4-2)31(27,28)18-10-11-20(29-17-8-6-5-7-9-17)19(14-18)22-21(24)16-12-13-30(25,26)15-16/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 16566573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).