N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

C19H22N4O3S2 — CID 4282059

IUPACN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1
InChIInChI=1S/C19H22N4O3S2/c1-3-11-23(12-4-2)28(25,26)14-8-9-15-17(13-14)27-19(21-15)22-18(24)16-7-5-6-10-20-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22,24)
InChIKeyRVOJXQIURQLSTB-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.75
Rot. Bonds8

About N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (PubChem CID 4282059) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
PubChem CID4282059
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1
InChIInChI=1S/C19H22N4O3S2/c1-3-11-23(12-4-2)28(25,26)14-8-9-15-17(13-14)27-19(21-15)22-18(24)16-7-5-6-10-20-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22,24)
InChIKeyRVOJXQIURQLSTB-UHFFFAOYSA-N
XLogP3.75
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3601899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]acetamide
CID 2138899
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 3315451
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 3476307
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-methylbenzamide
CID 3457771
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]octanamide
CID 5081796
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-3-(dimethylamino)benzamide
CID 5075791
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-[[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]sulfamoyl]benzamide
CID 4049160

Frequently Asked Questions

What is the IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (CID 4282059) is N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccccn3)sc2c1.
What is the InChIKey of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is RVOJXQIURQLSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-3-11-23(12-4-2)28(25,26)14-8-9-15-17(13-14)27-19(21-15)22-18(24)16-7-5-6-10-20-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22,24).
What are the key properties of N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 4282059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).