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

C13H15N3O3S2 — CID 903095

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-2-3-12(17)15-10-4-6-11(7-5-10)21(18,19)16-13-14-8-9-20-13/h4-9H,2-3H2,1H3,(H,14,16)(H,15,17)
InChIKeyNRANOBLSNMLVEI-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.68
Rot. Bonds6

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

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 903095) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID903095
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H15N3O3S2/c1-2-3-12(17)15-10-4-6-11(7-5-10)21(18,19)16-13-14-8-9-20-13/h4-9H,2-3H2,1H3,(H,14,16)(H,15,17)
InChIKeyNRANOBLSNMLVEI-UHFFFAOYSA-N
XLogP2.68
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 903095) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is NRANOBLSNMLVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-2-3-12(17)15-10-4-6-11(7-5-10)21(18,19)16-13-14-8-9-20-13/h4-9H,2-3H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 325.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 903095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).