N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide

C15H13N3O3S — CID 3794109

IUPACN-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=CC=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3S/c19-15(11-13-7-4-10-22-13)17-16-9-3-6-12-5-1-2-8-14(12)18(20)21/h1-10H,11H2,(H,17,19)
InChIKeyLLFWKVZHOZSLQR-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide

N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide (PubChem CID 3794109) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
PubChem CID3794109
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NN=CC=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O3S/c19-15(11-13-7-4-10-22-13)17-16-9-3-6-12-5-1-2-8-14(12)18(20)21/h1-10H,11H2,(H,17,19)
InChIKeyLLFWKVZHOZSLQR-UHFFFAOYSA-N
XLogP3.01
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiophen-2-ylacetamide
CID 6871748
2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide
CID 6804185
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6901733
N-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 171985513
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(2-nitrophenyl)prop-2-enylideneamino]acetamide
CID 6804101
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 9467684
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 12005036
2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 6506969
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide (CID 3794109) is N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NN=CC=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide?
The InChIKey is LLFWKVZHOZSLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-15(11-13-7-4-10-22-13)17-16-9-3-6-12-5-1-2-8-14(12)18(20)21/h1-10H,11H2,(H,17,19).
What are the key properties of N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide?
N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide has a molecular weight of 315.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-nitrophenyl)prop-2-enylideneamino]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3794109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).