2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

C15H19N3O3S2 — CID 1010637

IUPAC2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-3-11(4-2)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)
InChIKeyKLSQINCFEITCGC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.32
Rot. Bonds7

About 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide

2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 1010637) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID1010637
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H19N3O3S2/c1-3-11(4-2)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)
InChIKeyKLSQINCFEITCGC-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-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 1010637) is 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is KLSQINCFEITCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-3-11(4-2)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-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide 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-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 1010637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).