N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide

C11H19N3O4S2 — CID 60724951

IUPACN-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O4S2/c1-7-9(19-10(16)12-7)20(17,18)14(5)6-8(15)13-11(2,3)4/h6H2,1-5H3,(H,12,16)(H,13,15)
InChIKeyFHQSKPDDESVTDJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.28
Rot. Bonds4

About N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide

N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide (PubChem CID 60724951) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
PubChem CID60724951
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC NameN-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O4S2/c1-7-9(19-10(16)12-7)20(17,18)14(5)6-8(15)13-11(2,3)4/h6H2,1-5H3,(H,12,16)(H,13,15)
InChIKeyFHQSKPDDESVTDJ-UHFFFAOYSA-N
XLogP0.28
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide (CID 60724951) is N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide?
The InChIKey is FHQSKPDDESVTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-7-9(19-10(16)12-7)20(17,18)14(5)6-8(15)13-11(2,3)4/h6H2,1-5H3,(H,12,16)(H,13,15).
What are the key properties of N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide?
N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide has a molecular weight of 321.42 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 60724951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).