(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

C15H14N2O3S — CID 2514823

IUPAC(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCN(Cc1cccs1)C(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3S/c1-16(11-13-6-4-10-21-13)15(18)9-8-12-5-2-3-7-14(12)17(19)20/h2-10H,11H2,1H3/b9-8+
InChIKeyVDAHEMUQSNIEPG-CMDGGOBGSA-N
MW302.36 g/mol
LogP3.33
Rot. Bonds5

About (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (PubChem CID 2514823) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
PubChem CID2514823
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
SMILESCN(Cc1cccs1)C(=O)/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N2O3S/c1-16(11-13-6-4-10-21-13)15(18)9-8-12-5-2-3-7-14(12)17(19)20/h2-10H,11H2,1H3/b9-8+
InChIKeyVDAHEMUQSNIEPG-CMDGGOBGSA-N
XLogP3.33
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
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

Indolin-1-yl(5-nitrothiophen-2-yl)methanone
CID 4609811
N-(2-methyl-4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736817
4-nitro-N-(thiophen-2-ylmethyl)benzamide
CID 844960
3-(4-nitrophenyl)-N-(2-thienylmethyl)acrylamide
CID 897305
(5E)-3-ethyl-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2257287
N-[2-(4-nitrophenyl)propyl]-2-thiophenecarboxamide
CID 2957748
(E)-3-(5-nitrothiophen-2-yl)-N-(m-tolyl)acrylamide
CID 5809532
(E)-N-(2,4-dimethylphenyl)-3-(5-nitrothiophen-2-yl)acrylamide
CID 5894042
(E)-N-(2-methylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 6031825
(E)-3-(5-nitrothiophen-2-yl)-N-(p-tolyl)acrylamide
CID 6241058
N-(2-methylphenyl)-2-[(2-nitrothien-3-yl)thio]acetamide
CID 12004849
1-(2,5-Dimethylphenyl)-4-{[(2-nitrothien-3-yl)thio]acetyl}piperazine
CID 15944813

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide (CID 2514823) is (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is CN(Cc1cccs1)C(=O)/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
The InChIKey is VDAHEMUQSNIEPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-16(11-13-6-4-10-21-13)15(18)9-8-12-5-2-3-7-14(12)17(19)20/h2-10H,11H2,1H3/b9-8+.
What are the key properties of (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide?
(E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide has a molecular weight of 302.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(2-nitrophenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 2514823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).