2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide

C11H15N3O5S — CID 15118174

IUPAC2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5S/c1-2-13(7-11(12)15)20(18,19)8-9-4-3-5-10(6-9)14(16)17/h3-6H,2,7-8H2,1H3,(H2,12,15)
InChIKeyIMTKWQRODFNUPP-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.23
Rot. Bonds7

About 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide

2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide (PubChem CID 15118174) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide
PubChem CID15118174
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide
SMILESCCN(CC(N)=O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5S/c1-2-13(7-11(12)15)20(18,19)8-9-4-3-5-10(6-9)14(16)17/h3-6H,2,7-8H2,1H3,(H2,12,15)
InChIKeyIMTKWQRODFNUPP-UHFFFAOYSA-N
XLogP0.23
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.23
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

N,N-dibenzyl-1-(3-nitrophenyl)methanesulfonamide
CID 46763570
2-[cyanomethyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide
CID 15118389
(3-nitrophenyl)methanesulfonic acid;hydrochloride
CID 174623089
1-nitro-3-(propan-2-ylsulfonylmethyl)benzene
CID 22502078
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide
CID 15118143
2-[cyclohexyl-[(3-nitrophenyl)methylsulfonyl]amino]ethanethioamide
CID 15118358
2-[(3-tert-butylphenyl)methylsulfonyl-ethylamino]ethanethioamide
CID 19837719
2-[ethyl-[(2-methylphenyl)methylsulfonyl]amino]acetamide
CID 15118177
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696
2-methyl-3-[(3-nitrophenyl)methylsulfonyl]propanoic acid
CID 64915526
N,N-bis(2-amino-2-oxoethyl)-3-nitrobenzamide
CID 20505193

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide (CID 15118174) is 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide is CCN(CC(N)=O)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide?
The InChIKey is IMTKWQRODFNUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-2-13(7-11(12)15)20(18,19)8-9-4-3-5-10(6-9)14(16)17/h3-6H,2,7-8H2,1H3,(H2,12,15).
What are the key properties of 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide?
2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide has a molecular weight of 301.32 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-nitrophenyl)methylsulfonyl]amino]acetamide is sourced from PubChem (CID 15118174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).