N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide

C11H19N3O4S2 — CID 61275381

IUPACN,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H19N3O4S2/c1-5-14(6-2)9(15)7(3)13-20(17,18)10-8(4)12-11(16)19-10/h7,13H,5-6H2,1-4H3,(H,12,16)
InChIKeyYJNRMZJGFMVHDA-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.28
Rot. Bonds6

About N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide

N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide (PubChem CID 61275381) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide
PubChem CID61275381
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C
InChIInChI=1S/C11H19N3O4S2/c1-5-14(6-2)9(15)7(3)13-20(17,18)10-8(4)12-11(16)19-10/h7,13H,5-6H2,1-4H3,(H,12,16)
InChIKeyYJNRMZJGFMVHDA-UHFFFAOYSA-N
XLogP0.28
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide (CID 61275381) is N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide is CCN(CC)C(=O)C(C)NS(=O)(=O)c1sc(=O)[nH]c1C.
What is the InChIKey of N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide?
The InChIKey is YJNRMZJGFMVHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-5-14(6-2)9(15)7(3)13-20(17,18)10-8(4)12-11(16)19-10/h7,13H,5-6H2,1-4H3,(H,12,16).
What are the key properties of N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide?
N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide has a molecular weight of 321.42 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 61275381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).