N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

C20H22N4O4S2 — CID 100606261

IUPACN-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1NC(C)=O
InChIInChI=1S/C20H22N4O4S2/c1-13-6-5-7-15(10-13)20-22-19(28-23-20)12-24(3)30(26,27)16-8-9-18(29-4)17(11-16)21-14(2)25/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyMRLSDQPFYBFOFH-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.55
Rot. Bonds7

About N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100606261) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100606261
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1NC(C)=O
InChIInChI=1S/C20H22N4O4S2/c1-13-6-5-7-15(10-13)20-22-19(28-23-20)12-24(3)30(26,27)16-8-9-18(29-4)17(11-16)21-14(2)25/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyMRLSDQPFYBFOFH-UHFFFAOYSA-N
XLogP3.55
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]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-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100539577
N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
1-(cyclopropanecarbonyl)-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 100659201
4-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbenzenesulfonamide
CID 95209114
3-(2-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 8895624
3-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid;hydrochloride
CID 119911331
4-fluoro-N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 100696977
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
5-chloro-2-methoxy-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 30154205
3-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 6473563
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584
N-tert-butyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154564

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100606261) is N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1NC(C)=O.
What is the InChIKey of N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is MRLSDQPFYBFOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-13-6-5-7-15(10-13)20-22-19(28-23-20)12-24(3)30(26,27)16-8-9-18(29-4)17(11-16)21-14(2)25/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100606261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).