2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide

C16H17N3O5S — CID 86854819

IUPAC2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
SMILESCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C16H17N3O5S/c1-2-11-8-9-13(19(21)22)10-14(11)25(23,24)18-15(16(17)20)12-6-4-3-5-7-12/h3-10,15,18H,2H2,1H3,(H2,17,20)
InChIKeyKRIUXUWWMNTZOE-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.66
Rot. Bonds7

About 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide

2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide (PubChem CID 86854819) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
PubChem CID86854819
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
SMILESCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C(N)=O)c1ccccc1
InChIInChI=1S/C16H17N3O5S/c1-2-11-8-9-13(19(21)22)10-14(11)25(23,24)18-15(16(17)20)12-6-4-3-5-7-12/h3-10,15,18H,2H2,1H3,(H2,17,20)
InChIKeyKRIUXUWWMNTZOE-UHFFFAOYSA-N
XLogP1.66
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
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

N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
CID 120585203
(2S)-2-[(2,5-dimethylphenyl)sulfonylamino]-2-phenylacetamide
CID 41332371
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
CID 55508645
(3R)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-phenylpropanoate
CID 7109158
2-ethyl-N-[2-(methylamino)propyl]-5-nitrobenzenesulfonamide
CID 120825235
5-nitro-N-phenyl-2-propylbenzenesulfonamide
CID 71431777
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
2-ethyl-5-nitro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86854834
2-methyl-N-[(S)-(4-methylphenyl)-phenylmethyl]-5-nitrobenzenesulfonamide
CID 92679163
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
ethyl (3R)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-(3-nitrophenyl)propanoate
CID 40857562
2-ethyl-4-nitrobenzamide
CID 22004501

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide (CID 86854819) is 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide is CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
The InChIKey is KRIUXUWWMNTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-2-11-8-9-13(19(21)22)10-14(11)25(23,24)18-15(16(17)20)12-6-4-3-5-7-12/h3-10,15,18H,2H2,1H3,(H2,17,20).
What are the key properties of 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide has a molecular weight of 363.40 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 86854819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).