2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide

C11H15N3O5S — CID 99818120

IUPAC2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5S/c1-3-20(18,19)13(2)8-11(15)12-9-5-4-6-10(7-9)14(16)17/h4-7H,3,8H2,1-2H3,(H,12,15)
InChIKeyKVULAMFXXDSGLP-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.81
Rot. Bonds6

About 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide

2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide (PubChem CID 99818120) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
PubChem CID99818120
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide
SMILESCCS(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O5S/c1-3-20(18,19)13(2)8-11(15)12-9-5-4-6-10(7-9)14(16)17/h4-7H,3,8H2,1-2H3,(H,12,15)
InChIKeyKVULAMFXXDSGLP-UHFFFAOYSA-N
XLogP0.81
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.81
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-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 26217725
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-(3-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1311836
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
2-(2-chloro-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1310728
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
N-(3,4-dichlorophenyl)-2-[methyl-[(3-nitrophenyl)carbamoyl]amino]acetamide
CID 31680461
2-[3-(diethylsulfamoyl)-4-methylanilino]-N-(3-nitrophenyl)acetamide
CID 9100299
2-(4-methylphenyl)sulfonyl-N-(3-nitrophenyl)acetamide
CID 7543832
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 92645499

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide (CID 99818120) is 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide is CCS(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
The InChIKey is KVULAMFXXDSGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-3-20(18,19)13(2)8-11(15)12-9-5-4-6-10(7-9)14(16)17/h4-7H,3,8H2,1-2H3,(H,12,15).
What are the key properties of 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide?
2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide has a molecular weight of 301.32 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfonyl(methyl)amino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 99818120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).