N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide

C21H26N4O3S2 — CID 3301503

IUPACN-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1
InChIInChI=1S/C21H26N4O3S2/c1-14(2)12-25(13-15(3)4)30(27,28)17-5-6-18-19(11-17)29-21(23-18)24-20(26)16-7-9-22-10-8-16/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,26)
InChIKeyLISGPIMKVSDDAQ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.25
Rot. Bonds8

About N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide

N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide (PubChem CID 3301503) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
PubChem CID3301503
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1
InChIInChI=1S/C21H26N4O3S2/c1-14(2)12-25(13-15(3)4)30(27,28)17-5-6-18-19(11-17)29-21(23-18)24-20(26)16-7-9-22-10-8-16/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,26)
InChIKeyLISGPIMKVSDDAQ-UHFFFAOYSA-N
XLogP4.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-(dimethylamino)benzamide
CID 3310017
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]acetamide
CID 3310020
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-chloroacetamide
CID 3368893
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 3622870
4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3567285
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 3551279
4-(diethylsulfamoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 8873954
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4120437
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 18560934

Frequently Asked Questions

What is the IUPAC name of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide (CID 3301503) is N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1.
What is the InChIKey of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is LISGPIMKVSDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-14(2)12-25(13-15(3)4)30(27,28)17-5-6-18-19(11-17)29-21(23-18)24-20(26)16-7-9-22-10-8-16/h5-11,14-15H,12-13H2,1-4H3,(H,23,24,26).
What are the key properties of N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide?
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 3301503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).