N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide

C13H19N3O5S — CID 9189054

IUPACN-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O5S/c1-13(2,3)14-12(17)9-15(4)22(20,21)11-7-5-10(6-8-11)16(18)19/h5-8H,9H2,1-4H3,(H,14,17)
InChIKeyJHGYHOXSBMHUGG-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.13
Rot. Bonds5

About N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide

N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide (PubChem CID 9189054) has the molecular formula C13H19N3O5S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
PubChem CID9189054
Molecular FormulaC13H19N3O5S
Molecular Weight329.38 g/mol
Exact Mass329.10
IUPAC NameN-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O5S/c1-13(2,3)14-12(17)9-15(4)22(20,21)11-7-5-10(6-8-11)16(18)19/h5-8H,9H2,1-4H3,(H,14,17)
InChIKeyJHGYHOXSBMHUGG-UHFFFAOYSA-N
XLogP1.13
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
N-tert-butyl-2-[methyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 9189126
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-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
CID 60960044
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3608419
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 92511293
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 119573617
2-[[2-[methyl-(4-nitrophenyl)sulfonylamino]acetyl]amino]-3-(prop-1-en-2-ylamino)propanoic acid
CID 143367509
tert-butyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 130408898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide (CID 9189054) is N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is JHGYHOXSBMHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S/c1-13(2,3)14-12(17)9-15(4)22(20,21)11-7-5-10(6-8-11)16(18)19/h5-8H,9H2,1-4H3,(H,14,17).
What are the key properties of N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide?
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 9189054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).