N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide

C17H18N2O5S — CID 18586327

IUPACN-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-13-4-6-14(7-5-13)25-10-9-17(20)18-15-8-3-12(19(21)22)11-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyWVTKDZHCBZYRBV-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.73
Rot. Bonds8

About N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 18586327) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID18586327
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C17H18N2O5S/c1-23-13-4-6-14(7-5-13)25-10-9-17(20)18-15-8-3-12(19(21)22)11-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyWVTKDZHCBZYRBV-UHFFFAOYSA-N
XLogP3.73
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-4-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975221
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
N-(4-methoxy-2-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975810
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778305
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 18586327) is N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is WVTKDZHCBZYRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-13-4-6-14(7-5-13)25-10-9-17(20)18-15-8-3-12(19(21)22)11-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 362.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 18586327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).