N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H21FN4O5S2 — CID 41153174

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESC[C@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C20H21FN4O5S2/c1-13(29-17-7-5-4-6-16(17)21)19-23-24-20(30-19)31-12-18(26)22-14-8-10-15(11-9-14)32(27,28)25(2)3/h4-11,13H,12H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyBRVBPORQJZRKJG-ZDUSSCGKSA-N
MW480.54 g/mol
LogP3.33
Rot. Bonds9

About N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 41153174) has the molecular formula C20H21FN4O5S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID41153174
Molecular FormulaC20H21FN4O5S2
Molecular Weight480.54 g/mol
Exact Mass480.09
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESC[C@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C20H21FN4O5S2/c1-13(29-17-7-5-4-6-16(17)21)19-23-24-20(30-19)31-12-18(26)22-14-8-10-15(11-9-14)32(27,28)25(2)3/h4-11,13H,12H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyBRVBPORQJZRKJG-ZDUSSCGKSA-N
XLogP3.33
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7630688
2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7421479
2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 7957814
2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 7957815
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 17392616
2-[[5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 126011011
2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41023380
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 24573800
N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(1R)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 41190020
N-(3-fluoro-4-methylphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957658
2-[[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide
CID 126014777
2-[[5-[1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 24573787

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 41153174) is N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is BRVBPORQJZRKJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21FN4O5S2/c1-13(29-17-7-5-4-6-16(17)21)19-23-24-20(30-19)31-12-18(26)22-14-8-10-15(11-9-14)32(27,28)25(2)3/h4-11,13H,12H2,1-3H3,(H,22,26)/t13-/m0/s1.
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 480.54 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[[5-[(1S)-1-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 41153174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).