N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

C15H14N2O4S — CID 145331480

IUPACN-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccc(C)s1
InChIInChI=1S/C15H14N2O4S/c1-10-3-5-12(22-10)6-8-15(18)16-13-7-4-11(17(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,16,18)
InChIKeyOQTMHVRUVYWNLJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.63
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 145331480) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID145331480
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccc(C)s1
InChIInChI=1S/C15H14N2O4S/c1-10-3-5-12(22-10)6-8-15(18)16-13-7-4-11(17(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,16,18)
InChIKeyOQTMHVRUVYWNLJ-UHFFFAOYSA-N
XLogP3.63
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 2905603
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
(E)-N-(2-hydroxy-4-nitrophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 127028695
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 46809317
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513016

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 145331480) is N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccc(C)s1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is OQTMHVRUVYWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10-3-5-12(22-10)6-8-15(18)16-13-7-4-11(17(19)20)9-14(13)21-2/h3-9H,1-2H3,(H,16,18).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 318.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 145331480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).