N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide

C19H24N2O4S2 — CID 42997357

IUPACN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)CSC)c1
InChIInChI=1S/C19H24N2O4S2/c1-4-21(5-2)27(23,24)16-11-12-18(25-15-9-7-6-8-10-15)17(13-16)20-19(22)14-26-3/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyGQXXFXQMLQTNSO-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.81
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide

N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide (PubChem CID 42997357) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
PubChem CID42997357
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)CSC)c1
InChIInChI=1S/C19H24N2O4S2/c1-4-21(5-2)27(23,24)16-11-12-18(25-15-9-7-6-8-10-15)17(13-16)20-19(22)14-26-3/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyGQXXFXQMLQTNSO-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-(2-nitrophenyl)acetamide
CID 42996302
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566573
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]-2-methylsulfanylpropanamide
CID 43077587
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-phenoxyphenyl)acetamide
CID 19798493
N-[5-(diethylsulfamoyl)-2-(4-fluorophenoxy)phenyl]pent-4-enamide
CID 52866213
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-pyridin-2-ylsulfanylacetamide
CID 4793905
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
N-[5-(diethylsulfamoyl)-2-(4-ethoxyphenoxy)phenyl]furan-3-carboxamide
CID 34132202
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
CID 17257281
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide (CID 42997357) is N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)CSC)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide?
The InChIKey is GQXXFXQMLQTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-4-21(5-2)27(23,24)16-11-12-18(25-15-9-7-6-8-10-15)17(13-16)20-19(22)14-26-3/h6-13H,4-5,14H2,1-3H3,(H,20,22).
What are the key properties of N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide?
N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide has a molecular weight of 408.55 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-phenoxyphenyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 42997357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).