2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide

C15H19N3O3S2 — CID 2914508

IUPAC2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-3-4-11(2)14(19)17-12-5-7-13(8-6-12)23(20,21)18-15-16-9-10-22-15/h5-11H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGTRUDIAWQRMQQY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide

2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide (PubChem CID 2914508) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
PubChem CID2914508
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-3-4-11(2)14(19)17-12-5-7-13(8-6-12)23(20,21)18-15-16-9-10-22-15/h5-11H,3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGTRUDIAWQRMQQY-UHFFFAOYSA-N
XLogP3.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide (CID 2914508) is 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide is CCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide?
The InChIKey is GTRUDIAWQRMQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-3-4-11(2)14(19)17-12-5-7-13(8-6-12)23(20,21)18-15-16-9-10-22-15/h5-11H,3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide?
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide has a molecular weight of 353.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide is sourced from PubChem (CID 2914508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).