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

C14H17N3O3S2 — CID 784406

IUPAC3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)9-13(18)16-11-3-5-12(6-4-11)22(19,20)17-14-15-7-8-21-14/h3-8,10H,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKYDYGFSNGUGIOG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.93
Rot. Bonds6

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

3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (PubChem CID 784406) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
PubChem CID784406
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)9-13(18)16-11-3-5-12(6-4-11)22(19,20)17-14-15-7-8-21-14/h3-8,10H,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKYDYGFSNGUGIOG-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 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide (CID 784406) is 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
The InChIKey is KYDYGFSNGUGIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10(2)9-13(18)16-11-3-5-12(6-4-11)22(19,20)17-14-15-7-8-21-14/h3-8,10H,9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide?
3-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 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 784406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).