4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H20N4O3S2 — CID 118706959

IUPAC4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-3-9-19(10-4-2)24(21,22)13-7-5-12(6-8-13)14(20)17-15-18-16-11-23-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,20)
InChIKeyOJSIBCVIMJNEPU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.60
Rot. Bonds8

About 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 118706959) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID118706959
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1
InChIInChI=1S/C15H20N4O3S2/c1-3-9-19(10-4-2)24(21,22)13-7-5-12(6-8-13)14(20)17-15-18-16-11-23-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,20)
InChIKeyOJSIBCVIMJNEPU-UHFFFAOYSA-N
XLogP2.60
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 118706959) is 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OJSIBCVIMJNEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-3-9-19(10-4-2)24(21,22)13-7-5-12(6-8-13)14(20)17-15-18-16-11-23-15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18,20).
What are the key properties of 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 118706959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).