4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

C25H33N3O3S2 — CID 16938474

IUPAC4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1
InChIInChI=1S/C25H33N3O3S2/c1-5-7-16-28(17-8-6-2)33(30,31)20-14-12-19(13-15-20)24(29)27-25-26-23-21(18(3)4)10-9-11-22(23)32-25/h9-15,18H,5-8,16-17H2,1-4H3,(H,26,27,29)
InChIKeyRFDMPJOQKAYTEH-UHFFFAOYSA-N
MW487.69 g/mol
LogP6.26
Rot. Bonds11

About 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 16938474) has the molecular formula C25H33N3O3S2 and a molecular weight of 487.69 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
PubChem CID16938474
Molecular FormulaC25H33N3O3S2
Molecular Weight487.69 g/mol
Exact Mass487.20
IUPAC Name4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1
InChIInChI=1S/C25H33N3O3S2/c1-5-7-16-28(17-8-6-2)33(30,31)20-14-12-19(13-15-20)24(29)27-25-26-23-21(18(3)4)10-9-11-22(23)32-25/h9-15,18H,5-8,16-17H2,1-4H3,(H,26,27,29)
InChIKeyRFDMPJOQKAYTEH-UHFFFAOYSA-N
XLogP6.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.69
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[butyl(ethyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4172039
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
N,N-dibutyl-4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 43981623
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4058144
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4215772
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 16825435
4-[butyl(methyl)sulfamoyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 5072924
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3382564
N-(1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 2677030
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide (CID 16938474) is 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(C(C)C)cccc3s2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RFDMPJOQKAYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S2/c1-5-7-16-28(17-8-6-2)33(30,31)20-14-12-19(13-15-20)24(29)27-25-26-23-21(18(3)4)10-9-11-22(23)32-25/h9-15,18H,5-8,16-17H2,1-4H3,(H,26,27,29).
What are the key properties of 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide?
4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 487.69 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 16938474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).