4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C14H18N4O4S2 — CID 7502536

IUPAC4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCCSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C14H18N4O4S2/c1-4-23-14-17-16-12(22-14)9-15-13(19)10-5-7-11(8-6-10)24(20,21)18(2)3/h5-8H,4,9H2,1-3H3,(H,15,19)
InChIKeyVLIXJPZTFYVTGJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.36
Rot. Bonds7

About 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 7502536) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID7502536
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC Name4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCCSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
InChIInChI=1S/C14H18N4O4S2/c1-4-23-14-17-16-12(22-14)9-15-13(19)10-5-7-11(8-6-10)24(20,21)18(2)3/h5-8H,4,9H2,1-3H3,(H,15,19)
InChIKeyVLIXJPZTFYVTGJ-UHFFFAOYSA-N
XLogP1.36
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(dimethylsulfamoyl)-N-[[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 18562154
ethyl 2-[[2-[[5-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 44921275
4-(dimethylsulfamoyl)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320250
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502166
4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2051259
4-fluoro-N-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502346
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
4-(dimethylsulfamoyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 51315975
(2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7502260
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 7502536) is 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is CCSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is VLIXJPZTFYVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-4-23-14-17-16-12(22-14)9-15-13(19)10-5-7-11(8-6-10)24(20,21)18(2)3/h5-8H,4,9H2,1-3H3,(H,15,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 370.46 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 7502536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).