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

C14H17N3O3S2 — CID 3148020

IUPAC2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-3-10(2)13(18)16-11-4-6-12(7-5-11)22(19,20)17-14-15-8-9-21-14/h4-10H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGAOKVYMCRJQAOL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds6

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

2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 3148020) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID3148020
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-3-10(2)13(18)16-11-4-6-12(7-5-11)22(19,20)17-14-15-8-9-21-14/h4-10H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGAOKVYMCRJQAOL-UHFFFAOYSA-N
XLogP2.93
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 3148020) is 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is CCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is GAOKVYMCRJQAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-3-10(2)13(18)16-11-4-6-12(7-5-11)22(19,20)17-14-15-8-9-21-14/h4-10H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 2.93, 6 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]butanamide is sourced from PubChem (CID 3148020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).