(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide

C18H13BrN2OS — CID 21093978

IUPAC(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(Nc1ccccn1)/C(=C/c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2OS/c19-14-8-6-13(7-9-14)16(12-15-4-3-11-23-15)18(22)21-17-5-1-2-10-20-17/h1-12H,(H,20,21,22)/b16-12+
InChIKeyDQPVDHKLUJHWPI-FOWTUZBSSA-N
MW385.29 g/mol
LogP5.08
Rot. Bonds4

About (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide

(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 21093978) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID21093978
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC Name(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESO=C(Nc1ccccn1)/C(=C/c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C18H13BrN2OS/c19-14-8-6-13(7-9-14)16(12-15-4-3-11-23-15)18(22)21-17-5-1-2-10-20-17/h1-12H,(H,20,21,22)/b16-12+
InChIKeyDQPVDHKLUJHWPI-FOWTUZBSSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.08
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

N-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-3-thiophen-2-ylprop-2-enamide
CID 87417205
(E)-N-hydroxy-2-phenyl-3-thiophen-2-ylprop-2-enamide
CID 11379581
2-(4-cyanophenyl)-N-(1,3-thiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 85152597
CID 89092361
CID 89092361
5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
CID 25343632
4-bromobenzoic acid;4-bromo-N-pyridin-2-ylbenzamide;pyridin-2-amine
CID 159605933
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
(Z)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoate
CID 2376836
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide (CID 21093978) is (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is O=C(Nc1ccccn1)/C(=C/c1cccs1)c1ccc(Br)cc1.
What is the InChIKey of (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DQPVDHKLUJHWPI-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-14-8-6-13(7-9-14)16(12-15-4-3-11-23-15)18(22)21-17-5-1-2-10-20-17/h1-12H,(H,20,21,22)/b16-12+.
What are the key properties of (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide?
(E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 385.29 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-bromophenyl)-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 21093978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).