(Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide

C18H14N2O4S2 — CID 6175146

IUPAC(Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4S2/c1-24-12-6-7-15(16(10-12)20(22)23)19-18(21)14(17-5-3-9-26-17)11-13-4-2-8-25-13/h2-11H,1H3,(H,19,21)/b14-11+
InChIKeyWTFUEXPPTGEDFB-SDNWHVSQSA-N
MW386.45 g/mol
LogP4.91
Rot. Bonds6

About (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide

(Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide (PubChem CID 6175146) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide
PubChem CID6175146
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name(Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O4S2/c1-24-12-6-7-15(16(10-12)20(22)23)19-18(21)14(17-5-3-9-26-17)11-13-4-2-8-25-13/h2-11H,1H3,(H,19,21)/b14-11+
InChIKeyWTFUEXPPTGEDFB-SDNWHVSQSA-N
XLogP4.91
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate
CID 3407796
N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4939875
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23966770
2-cyano-N-(4-methyl-2-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
CID 4983870
2-hydroxyimino-N-(4-methoxy-2-nitrophenyl)acetamide
CID 23255692
(E)-2-cyano-N-(4-methoxy-2-nitrophenyl)-3-phenylprop-2-enamide
CID 19169774
N-(4-methoxy-2-nitrophenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 19509038
N-(4-methoxy-2-nitrophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 2931371
3,5-ditert-butyl-4-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 23370079
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19205153
ethyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 8718187
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide (CID 6175146) is (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide is COc1ccc(NC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide?
The InChIKey is WTFUEXPPTGEDFB-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H14N2O4S2/c1-24-12-6-7-15(16(10-12)20(22)23)19-18(21)14(17-5-3-9-26-17)11-13-4-2-8-25-13/h2-11H,1H3,(H,19,21)/b14-11+.
What are the key properties of (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide?
(Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide has a molecular weight of 386.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methoxy-2-nitrophenyl)-2,3-dithiophen-2-ylprop-2-enamide is sourced from PubChem (CID 6175146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).