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

C23H28N4O4S2 — CID 43974001

IUPAC4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-4-14-27(15-5-2)33(29,30)20-12-8-18(9-13-20)22(28)24-23-26-25-21(31-23)16-17-6-10-19(32-3)11-7-17/h6-13H,4-5,14-16H2,1-3H3,(H,24,26,28)
InChIKeyGNDMLWGZNCHEDY-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.45
Rot. Bonds11

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

4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974001) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43974001
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-4-14-27(15-5-2)33(29,30)20-12-8-18(9-13-20)22(28)24-23-26-25-21(31-23)16-17-6-10-19(32-3)11-7-17/h6-13H,4-5,14-16H2,1-3H3,(H,24,26,28)
InChIKeyGNDMLWGZNCHEDY-UHFFFAOYSA-N
XLogP4.45
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917575
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
4-methylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974919
4-(diethylsulfamoyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974528
4-[butyl(ethyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974882
N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 43973998
3-ethylsulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974102
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975500
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974020
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973211
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
CID 16917366

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974001) is 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(SC)cc3)o2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GNDMLWGZNCHEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-4-14-27(15-5-2)33(29,30)20-12-8-18(9-13-20)22(28)24-23-26-25-21(31-23)16-17-6-10-19(32-3)11-7-17/h6-13H,4-5,14-16H2,1-3H3,(H,24,26,28).
What are the key properties of 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 488.64 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).