2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide

C10H12N2O4S — CID 2938636

IUPAC2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide
SMILESO=C(CSCCO)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4S/c13-4-5-17-7-10(14)11-8-2-1-3-9(6-8)12(15)16/h1-3,6,13H,4-5,7H2,(H,11,14)
InChIKeyUDENOPONBLHTTB-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide

2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide (PubChem CID 2938636) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide
PubChem CID2938636
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide
SMILESO=C(CSCCO)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4S/c13-4-5-17-7-10(14)11-8-2-1-3-9(6-8)12(15)16/h1-3,6,13H,4-5,7H2,(H,11,14)
InChIKeyUDENOPONBLHTTB-UHFFFAOYSA-N
XLogP1.26
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 26561688
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide;hydrate
CID 139088112
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 1338155
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 2668654
2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
CID 7333902
2-azido-N-(3-nitrophenyl)acetamide
CID 98880869

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide (CID 2938636) is 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide is O=C(CSCCO)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide?
The InChIKey is UDENOPONBLHTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-4-5-17-7-10(14)11-8-2-1-3-9(6-8)12(15)16/h1-3,6,13H,4-5,7H2,(H,11,14).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide?
2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide has a molecular weight of 256.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 2938636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).