4-ethoxy-N-(2-nitrophenyl)sulfanylaniline

C14H14N2O3S — CID 728485

IUPAC4-ethoxy-N-(2-nitrophenyl)sulfanylaniline
SMILESCCOc1ccc(NSc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3S/c1-2-19-12-9-7-11(8-10-12)15-20-14-6-4-3-5-13(14)16(17)18/h3-10,15H,2H2,1H3
InChIKeyLUKGHGWVZINXIV-UHFFFAOYSA-N
MW290.34 g/mol
LogP4.11
Rot. Bonds6

About 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline

4-ethoxy-N-(2-nitrophenyl)sulfanylaniline (PubChem CID 728485) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline.

Molecular Properties

Compound Name4-ethoxy-N-(2-nitrophenyl)sulfanylaniline
PubChem CID728485
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-ethoxy-N-(2-nitrophenyl)sulfanylaniline
SMILESCCOc1ccc(NSc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3S/c1-2-19-12-9-7-11(8-10-12)15-20-14-6-4-3-5-13(14)16(17)18/h3-10,15H,2H2,1H3
InChIKeyLUKGHGWVZINXIV-UHFFFAOYSA-N
XLogP4.11
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 54.11
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
2,6-ditert-butyl-4-[(4-ethoxy-2-nitrophenyl)sulfanylamino]phenol
CID 4565333
N-[(4-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 882509
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
CID 6131807
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-(2-nitrophenyl)sulfanylpropanamide
CID 134920516
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 18231124
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 7833036
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline?
The IUPAC name of 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline (CID 728485) is 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline.
What is the SMILES notation for 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline?
The canonical SMILES for 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline is CCOc1ccc(NSc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline?
The InChIKey is LUKGHGWVZINXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-19-12-9-7-11(8-10-12)15-20-14-6-4-3-5-13(14)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline?
4-ethoxy-N-(2-nitrophenyl)sulfanylaniline has a molecular weight of 290.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-nitrophenyl)sulfanylaniline is sourced from PubChem (CID 728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).