4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide

C13H14N4O4S3 — CID 2578078

IUPAC4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nncs2)cc1
InChIInChI=1S/C13H14N4O4S3/c1-17(2)24(20,21)10-5-3-9(4-6-10)12(19)15-11(18)7-22-13-16-14-8-23-13/h3-6,8H,7H2,1-2H3,(H,15,18,19)
InChIKeyDPYKWMAQMVRVSV-UHFFFAOYSA-N
MW386.48 g/mol
LogP0.84
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide

4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide (PubChem CID 2578078) has the molecular formula C13H14N4O4S3 and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
PubChem CID2578078
Molecular FormulaC13H14N4O4S3
Molecular Weight386.48 g/mol
Exact Mass386.02
IUPAC Name4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nncs2)cc1
InChIInChI=1S/C13H14N4O4S3/c1-17(2)24(20,21)10-5-3-9(4-6-10)12(19)15-11(18)7-22-13-16-14-8-23-13/h3-6,8H,7H2,1-2H3,(H,15,18,19)
InChIKeyDPYKWMAQMVRVSV-UHFFFAOYSA-N
XLogP0.84
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide (CID 2578078) is 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NC(=O)CSc2nncs2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
The InChIKey is DPYKWMAQMVRVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S3/c1-17(2)24(20,21)10-5-3-9(4-6-10)12(19)15-11(18)7-22-13-16-14-8-23-13/h3-6,8H,7H2,1-2H3,(H,15,18,19).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide has a molecular weight of 386.48 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]benzamide is sourced from PubChem (CID 2578078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).