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

C12H13N3O3S2 — CID 694919

IUPACN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H13N3O3S2/c1-2-11(16)14-9-3-5-10(6-4-9)20(17,18)15-12-13-7-8-19-12/h3-8H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeyXTRZAZSWJSBAOV-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.29
Rot. Bonds5

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

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 694919) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID694919
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC NameN-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H13N3O3S2/c1-2-11(16)14-9-3-5-10(6-4-9)20(17,18)15-12-13-7-8-19-12/h3-8H,2H2,1H3,(H,13,15)(H,14,16)
InChIKeyXTRZAZSWJSBAOV-UHFFFAOYSA-N
XLogP2.29
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.29
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]propanamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 694919) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is XTRZAZSWJSBAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-2-11(16)14-9-3-5-10(6-4-9)20(17,18)15-12-13-7-8-19-12/h3-8H,2H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.29, 5 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]propanamide is sourced from PubChem (CID 694919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).