(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide

C19H22N2O5S — CID 55461261

IUPAC(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESCCCOc1cc(NC(=O)/C=C/c2ccsc2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H22N2O5S/c1-3-8-25-17-11-15(16(21(23)24)12-18(17)26-9-4-2)20-19(22)6-5-14-7-10-27-13-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,20,22)/b6-5+
InChIKeyFASMJNKNMZRBSO-AATRIKPKSA-N
MW390.46 g/mol
LogP4.89
Rot. Bonds10

About (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 55461261) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID55461261
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESCCCOc1cc(NC(=O)/C=C/c2ccsc2)c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H22N2O5S/c1-3-8-25-17-11-15(16(21(23)24)12-18(17)26-9-4-2)20-19(22)6-5-14-7-10-27-13-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,20,22)/b6-5+
InChIKeyFASMJNKNMZRBSO-AATRIKPKSA-N
XLogP4.89
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.89
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-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
3-(3,4-diethoxyphenyl)-N-(4-methyl-2-nitrophenyl)prop-2-enamide
CID 2792890
4-methyl-N-(2-nitro-4,5-dipropoxyphenyl)-1,3-thiazole-5-carboxamide
CID 60531309
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
CID 55461123
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026408
N-(2-butoxy-5-methoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 76861901
N-(4-ethoxy-2-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2933763
N-(4,5-diethoxy-2-nitrophenyl)butanamide
CID 86912973
(E)-3-(4-tert-butylphenyl)-N-(4-ethoxy-2-nitrophenyl)prop-2-enamide
CID 6027037
2-[[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 89064883

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide (CID 55461261) is (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide is CCCOc1cc(NC(=O)/C=C/c2ccsc2)c([N+](=O)[O-])cc1OCCC.
What is the InChIKey of (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is FASMJNKNMZRBSO-AATRIKPKSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-8-25-17-11-15(16(21(23)24)12-18(17)26-9-4-2)20-19(22)6-5-14-7-10-27-13-14/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,20,22)/b6-5+.
What are the key properties of (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 390.46 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-nitro-4,5-dipropoxyphenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 55461261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).