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

C14H17N3O3S2 — CID 503707

IUPAC2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-14(2,3)12(18)16-10-4-6-11(7-5-10)22(19,20)17-13-15-8-9-21-13/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyZKMFIOCLFNQKNP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds4

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

2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 503707) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID503707
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-14(2,3)12(18)16-10-4-6-11(7-5-10)22(19,20)17-13-15-8-9-21-13/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyZKMFIOCLFNQKNP-UHFFFAOYSA-N
XLogP2.93
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 503707) is 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is ZKMFIOCLFNQKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-14(2,3)12(18)16-10-4-6-11(7-5-10)22(19,20)17-13-15-8-9-21-13/h4-9H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 503707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).