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

C10H15N3O4S2 — CID 3237225

IUPAC2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O4S2/c1-7(14)12-8(3-6-19(2,16)17)9(15)13-10-11-4-5-18-10/h4-5,8H,3,6H2,1-2H3,(H,12,14)(H,11,13,15)
InChIKeyRHHQUJJTTKYGOM-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.02
Rot. Bonds6

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

2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 3237225) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID3237225
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O4S2/c1-7(14)12-8(3-6-19(2,16)17)9(15)13-10-11-4-5-18-10/h4-5,8H,3,6H2,1-2H3,(H,12,14)(H,11,13,15)
InChIKeyRHHQUJJTTKYGOM-UHFFFAOYSA-N
XLogP0.02
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.02
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-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide (CID 3237225) is 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide is CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nccs1.
What is the InChIKey of 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is RHHQUJJTTKYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-7(14)12-8(3-6-19(2,16)17)9(15)13-10-11-4-5-18-10/h4-5,8H,3,6H2,1-2H3,(H,12,14)(H,11,13,15).
What are the key properties of 2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide?
2-acetamido-4-methylsulfonyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 305.38 g/mol, XLogP of 0.02, 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-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 3237225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).