N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

C17H14N2O3S2 — CID 5435552

IUPACN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1cccs1
InChIInChI=1S/C17H14N2O3S2/c20-16(18-11-12-4-1-7-22-12)14(10-13-5-2-8-23-13)19-17(21)15-6-3-9-24-15/h1-10H,11H2,(H,18,20)(H,19,21)/b14-10+
InChIKeyVTAALJIFAAKZBW-GXDHUFHOSA-N
MW358.44 g/mol
LogP3.49
Rot. Bonds6

About N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide (PubChem CID 5435552) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
PubChem CID5435552
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1cccs1
InChIInChI=1S/C17H14N2O3S2/c20-16(18-11-12-4-1-7-22-12)14(10-13-5-2-8-23-13)19-17(21)15-6-3-9-24-15/h1-10H,11H2,(H,18,20)(H,19,21)/b14-10+
InChIKeyVTAALJIFAAKZBW-GXDHUFHOSA-N
XLogP3.49
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 573774
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2093798
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 4884562
N-(furan-2-ylmethyl)-4,5-dimethylthiophene-2-carboxamide
CID 19585268
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
N-Furan-2-ylmethyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-2-yl-acetamide
CID 649429
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
Furan-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-thiophen-2-ylmethyl-amide
CID 654363
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 663691

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide (CID 5435552) is N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide is O=C(NCc1ccco1)/C(=C\c1cccs1)NC(=O)c1cccs1.
What is the InChIKey of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
The InChIKey is VTAALJIFAAKZBW-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c20-16(18-11-12-4-1-7-22-12)14(10-13-5-2-8-23-13)19-17(21)15-6-3-9-24-15/h1-10H,11H2,(H,18,20)(H,19,21)/b14-10+.
What are the key properties of N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide?
N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-ylmethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5435552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).