N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H21FN4O5S2 — CID 16540994

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21FN4O5S2/c1-13-4-7-15(10-17(13)32(27,28)25(2)3)22-18(26)12-31-20-24-23-19(30-20)11-29-16-8-5-14(21)6-9-16/h4-10H,11-12H2,1-3H3,(H,22,26)
InChIKeyLPPWLRYJUOPHGI-UHFFFAOYSA-N
MW480.54 g/mol
LogP3.08
Rot. Bonds9

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 16540994) has the molecular formula C20H21FN4O5S2 and a molecular weight of 480.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID16540994
Molecular FormulaC20H21FN4O5S2
Molecular Weight480.54 g/mol
Exact Mass480.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3)o2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H21FN4O5S2/c1-13-4-7-15(10-17(13)32(27,28)25(2)3)22-18(26)12-31-20-24-23-19(30-20)11-29-16-8-5-14(21)6-9-16/h4-10H,11-12H2,1-3H3,(H,22,26)
InChIKeyLPPWLRYJUOPHGI-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 99944204
N-(4-fluorophenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1157896
N-(4-fluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3146739
2-[[5-[(3,4-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 99944191
N-(4-fluoro-2-methylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3530873
N-(3,4-dichlorophenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4661129
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4242786
N-(3-bromo-4-methylphenyl)-2-[[5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92658698
N-(2,5-dimethylphenyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1276560
N-(4-chlorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8708507
N-(4-bromo-3-methylphenyl)-2-[[5-(naphthalen-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 126013435
2-[[5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 2188953

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 16540994) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2nnc(COc3ccc(F)cc3)o2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LPPWLRYJUOPHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O5S2/c1-13-4-7-15(10-17(13)32(27,28)25(2)3)22-18(26)12-31-20-24-23-19(30-20)11-29-16-8-5-14(21)6-9-16/h4-10H,11-12H2,1-3H3,(H,22,26).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 480.54 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16540994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).