(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide

C16H16BrNO2S — CID 39498177

IUPAC(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccccc1NC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C16H16BrNO2S/c1-11(2)20-14-6-4-3-5-13(14)18-16(19)10-8-12-7-9-15(17)21-12/h3-11H,1-2H3,(H,18,19)/b10-8+
InChIKeyGMDJNZUDZJQNTF-CSKARUKUSA-N
MW366.28 g/mol
LogP4.95
Rot. Bonds5

About (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide

(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 39498177) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID39498177
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccccc1NC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C16H16BrNO2S/c1-11(2)20-14-6-4-3-5-13(14)18-16(19)10-8-12-7-9-15(17)21-12/h3-11H,1-2H3,(H,18,19)/b10-8+
InChIKeyGMDJNZUDZJQNTF-CSKARUKUSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-bromothiophen-2-yl)-N-[2-(methoxymethyl)phenyl]prop-2-enamide
CID 55715150
(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39498979
(E)-3-(5-bromothiophen-2-yl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 24568053
(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
(E)-3-(5-bromothiophen-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 24506380
4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 39498025
3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 78778651
(E)-3-(5-bromothiophen-2-yl)-N-(2-methylpropoxy)prop-2-enamide
CID 115410076
(E)-3-(5-bromothiophen-2-yl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575097
(E)-3-(5-bromothiophen-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]prop-2-enehydrazide
CID 55333982
(E)-3-(5-bromothiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)prop-2-enamide
CID 102914567

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide (CID 39498177) is (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1ccccc1NC(=O)/C=C/c1ccc(Br)s1.
What is the InChIKey of (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is GMDJNZUDZJQNTF-CSKARUKUSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-11(2)20-14-6-4-3-5-13(14)18-16(19)10-8-12-7-9-15(17)21-12/h3-11H,1-2H3,(H,18,19)/b10-8+.
What are the key properties of (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide?
(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 366.28 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 39498177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).