N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide

C12H19N3O4S — CID 60960044

IUPACN-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H19N3O4S/c1-12(2,3)14-11(17)8-15(4)20(18,19)9-5-6-10(16)13-7-9/h5-7H,8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyHHZYLOFFOUAYNN-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.09
Rot. Bonds4

About N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide

N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide (PubChem CID 60960044) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
PubChem CID60960044
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC NameN-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H19N3O4S/c1-12(2,3)14-11(17)8-15(4)20(18,19)9-5-6-10(16)13-7-9/h5-7H,8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyHHZYLOFFOUAYNN-UHFFFAOYSA-N
XLogP-0.09
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 9189126
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
2-[(3-bromo-4-chlorophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 106545297
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
CID 9189120
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125979
N-tert-butyl-2-[methyl-(2-phenylphenyl)sulfonylamino]acetamide
CID 86922586
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
2-[(5-amino-2-bromophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 65207012

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide (CID 60960044) is N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide?
The InChIKey is HHZYLOFFOUAYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-12(2,3)14-11(17)8-15(4)20(18,19)9-5-6-10(16)13-7-9/h5-7H,8H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide?
N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide has a molecular weight of 301.37 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 60960044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).