2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide

C15H21N3O3S2 — CID 10861185

IUPAC2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C15H21N3O3S2/c1-3-5-10(6-4-2)14(19)17-11-7-8-12-13(9-11)22-15(18-12)23(16,20)21/h7-10H,3-6H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyUMYBZVYPQATGDV-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.10
Rot. Bonds7

About 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide

2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide (PubChem CID 10861185) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide.

Molecular Properties

Compound Name2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide
PubChem CID10861185
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1
InChIInChI=1S/C15H21N3O3S2/c1-3-5-10(6-4-2)14(19)17-11-7-8-12-13(9-11)22-15(18-12)23(16,20)21/h7-10H,3-6H2,1-2H3,(H,17,19)(H2,16,20,21)
InChIKeyUMYBZVYPQATGDV-UHFFFAOYSA-N
XLogP3.10
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide?
The IUPAC name of 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide (CID 10861185) is 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide.
What is the SMILES notation for 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide?
The canonical SMILES for 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide is CCCC(CCC)C(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1.
What is the InChIKey of 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide?
The InChIKey is UMYBZVYPQATGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-3-5-10(6-4-2)14(19)17-11-7-8-12-13(9-11)22-15(18-12)23(16,20)21/h7-10H,3-6H2,1-2H3,(H,17,19)(H2,16,20,21).
What are the key properties of 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide?
2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide has a molecular weight of 355.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(2-sulfamoyl-1,3-benzothiazol-6-yl)pentanamide is sourced from PubChem (CID 10861185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).