(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

C19H14N2O3S — CID 129245213

IUPAC(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N2O3S/c22-19(20-15-7-4-8-16(13-15)21(23)24)12-10-17-9-11-18(25-17)14-5-2-1-3-6-14/h1-13H,(H,20,22)/b12-10+
InChIKeyGBXFVCOJGZYGJC-ZRDIBKRKSA-N
MW350.40 g/mol
LogP4.98
Rot. Bonds5

About (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide

(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (PubChem CID 129245213) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
PubChem CID129245213
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N2O3S/c22-19(20-15-7-4-8-16(13-15)21(23)24)12-10-17-9-11-18(25-17)14-5-2-1-3-6-14/h1-13H,(H,20,22)/b12-10+
InChIKeyGBXFVCOJGZYGJC-ZRDIBKRKSA-N
XLogP4.98
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-N-(3-acetylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668831
(E)-N-(4-acetamidophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7667582
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
(E)-N-(3,5-dimethoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 7668716
(E)-N-(3-bromophenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6018482
(E)-3-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 9410959
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9070905
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 33310642
methyl 2-[[3-[3-(5-phenylthiophen-2-yl)prop-2-enoylamino]benzoyl]amino]acetate
CID 55750390
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-N-[(3-acetamidophenyl)methyl]-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 39573477

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide (CID 129245213) is (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is O=C(/C=C/c1ccc(-c2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
The InChIKey is GBXFVCOJGZYGJC-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-19(20-15-7-4-8-16(13-15)21(23)24)12-10-17-9-11-18(25-17)14-5-2-1-3-6-14/h1-13H,(H,20,22)/b12-10+.
What are the key properties of (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide?
(E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide has a molecular weight of 350.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-nitrophenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 129245213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).