2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide

C14H17N3O3S2 — CID 119956548

IUPAC2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)8-7-11(15)13(18)17-14-16-9-12(21-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,17,18)
InChIKeyBMZYYCXTJVCDRU-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.51
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide

2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide (PubChem CID 119956548) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
PubChem CID119956548
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ncc(-c2ccccc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-22(19,20)8-7-11(15)13(18)17-14-16-9-12(21-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,17,18)
InChIKeyBMZYYCXTJVCDRU-UHFFFAOYSA-N
XLogP1.51
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide (CID 119956548) is 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide is CS(=O)(=O)CCC(N)C(=O)Nc1ncc(-c2ccccc2)s1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is BMZYYCXTJVCDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-22(19,20)8-7-11(15)13(18)17-14-16-9-12(21-14)10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide?
2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 339.44 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 119956548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).