(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide

C15H14BrNOS — CID 8759799

IUPAC(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1Br
InChIInChI=1S/C15H14BrNOS/c1-11(13-6-2-3-7-14(13)16)17-15(18)9-8-12-5-4-10-19-12/h2-11H,1H3,(H,17,18)/b9-8+/t11-/m1/s1
InChIKeyYEPCCYSZAGRLQX-ANYFNZRUSA-N
MW336.25 g/mol
LogP4.40
Rot. Bonds4

About (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 8759799) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID8759799
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1Br
InChIInChI=1S/C15H14BrNOS/c1-11(13-6-2-3-7-14(13)16)17-15(18)9-8-12-5-4-10-19-12/h2-11H,1H3,(H,17,18)/b9-8+/t11-/m1/s1
InChIKeyYEPCCYSZAGRLQX-ANYFNZRUSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[1-(2-bromophenyl)ethylamino]-4-oxobut-2-enoic acid
CID 43402242
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
CID 51333812
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
CID 18776403
(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247935
(E)-N-(1,2,2,2-tetrachloroethyl)-3-thiophen-2-ylprop-2-enamide
CID 118037754
(E)-N-pent-4-yn-2-yl-3-thiophen-2-ylprop-2-enamide
CID 115661838
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 9220137
(E)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
methyl (2R)-4-methyl-2-(3-thiophen-2-ylprop-2-enoylamino)pentanoate
CID 91536082
(E)-N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9220038

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide (CID 8759799) is (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide is C[C@@H](NC(=O)/C=C/c1cccs1)c1ccccc1Br.
What is the InChIKey of (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is YEPCCYSZAGRLQX-ANYFNZRUSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-11(13-6-2-3-7-14(13)16)17-15(18)9-8-12-5-4-10-19-12/h2-11H,1H3,(H,17,18)/b9-8+/t11-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 336.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 8759799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).