2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C11H17N3O4S2 — CID 3238677

IUPAC2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H17N3O4S2/c1-7-6-19-11(12-7)14-10(16)9(13-8(2)15)4-5-20(3,17)18/h6,9H,4-5H2,1-3H3,(H,13,15)(H,12,14,16)
InChIKeyFWTIRGYZXBFQMR-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.33
Rot. Bonds6

About 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide

2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 3238677) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID3238677
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC Name2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H17N3O4S2/c1-7-6-19-11(12-7)14-10(16)9(13-8(2)15)4-5-20(3,17)18/h6,9H,4-5H2,1-3H3,(H,13,15)(H,12,14,16)
InChIKeyFWTIRGYZXBFQMR-UHFFFAOYSA-N
XLogP0.33
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 3238677) is 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is FWTIRGYZXBFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-7-6-19-11(12-7)14-10(16)9(13-8(2)15)4-5-20(3,17)18/h6,9H,4-5H2,1-3H3,(H,13,15)(H,12,14,16).
What are the key properties of 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 319.41 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3238677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).