3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide

C16H13NO2S2 — CID 171130654

IUPAC3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccsc1)c1cccs1
InChIInChI=1S/C16H13NO2S2/c18-15(6-5-13-3-1-8-19-13)17-16(12-7-10-20-11-12)14-4-2-9-21-14/h1-11,16H,(H,17,18)
InChIKeyYRIFUPIMJXVLAU-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.32
Rot. Bonds5

About 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide

3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide (PubChem CID 171130654) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
PubChem CID171130654
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC(c1ccsc1)c1cccs1
InChIInChI=1S/C16H13NO2S2/c18-15(6-5-13-3-1-8-19-13)17-16(12-7-10-20-11-12)14-4-2-9-21-14/h1-11,16H,(H,17,18)
InChIKeyYRIFUPIMJXVLAU-UHFFFAOYSA-N
XLogP4.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(3,4-dimethoxyphenyl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide
CID 119104226
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852184
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
CID 71892659
2-cyclopropyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 119104241
1-propyl-3-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]urea
CID 129355017
2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 129354820
2-(4-chlorophenoxy)-2-methyl-N-[thiophen-2-yl(thiophen-3-yl)methyl]propanamide
CID 119104228
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
(E)-3-(4-fluorophenyl)-N-[(R)-phenyl(thiophen-2-yl)methyl]prop-2-enamide
CID 8853725
N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 121021387
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide (CID 171130654) is 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide is O=C(C=Cc1ccco1)NC(c1ccsc1)c1cccs1.
What is the InChIKey of 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
The InChIKey is YRIFUPIMJXVLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c18-15(6-5-13-3-1-8-19-13)17-16(12-7-10-20-11-12)14-4-2-9-21-14/h1-11,16H,(H,17,18).
What are the key properties of 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide?
3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide has a molecular weight of 315.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[thiophen-2-yl(thiophen-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 171130654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).