N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C19H21F3N2O3S2 — CID 17432681

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H21F3N2O3S2/c1-3-24(4-2)29(26,27)17-10-6-8-15(12-17)23-18(25)13-28-16-9-5-7-14(11-16)19(20,21)22/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyBMROOOOGPCNXII-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.47
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 17432681) has the molecular formula C19H21F3N2O3S2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID17432681
Molecular FormulaC19H21F3N2O3S2
Molecular Weight446.52 g/mol
Exact Mass446.09
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H21F3N2O3S2/c1-3-24(4-2)29(26,27)17-10-6-8-15(12-17)23-18(25)13-28-16-9-5-7-14(11-16)19(20,21)22/h5-12H,3-4,13H2,1-2H3,(H,23,25)
InChIKeyBMROOOOGPCNXII-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 3979916
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N-[3-(dimethylsulfamoyl)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 55343544
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
N-[3-(diethylsulfamoyl)phenyl]-2-[(1-phenylpyrazol-3-yl)amino]acetamide
CID 55816737
N-[3-(diethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4803994
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 17432681) is N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is BMROOOOGPCNXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S2/c1-3-24(4-2)29(26,27)17-10-6-8-15(12-17)23-18(25)13-28-16-9-5-7-14(11-16)19(20,21)22/h5-12H,3-4,13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 446.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 17432681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).