3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide

C18H16BrNO2S — CID 126854811

IUPAC3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCc1ccc(-c2ccsc2)o1
InChIInChI=1S/C18H16BrNO2S/c19-16-4-2-1-3-13(16)5-8-18(21)20-11-15-6-7-17(22-15)14-9-10-23-12-14/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,21)
InChIKeyMBXZDDHSFMHILQ-UHFFFAOYSA-N
MW390.30 g/mol
LogP5.02
Rot. Bonds6

About 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide

3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide (PubChem CID 126854811) has the molecular formula C18H16BrNO2S and a molecular weight of 390.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
PubChem CID126854811
Molecular FormulaC18H16BrNO2S
Molecular Weight390.30 g/mol
Exact Mass389.01
IUPAC Name3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide
SMILESO=C(CCc1ccccc1Br)NCc1ccc(-c2ccsc2)o1
InChIInChI=1S/C18H16BrNO2S/c19-16-4-2-1-3-13(16)5-8-18(21)20-11-15-6-7-17(22-15)14-9-10-23-12-14/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,21)
InChIKeyMBXZDDHSFMHILQ-UHFFFAOYSA-N
XLogP5.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.30
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
CID 126854849
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 24588409
N-[(5-thiophen-3-ylfuran-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 121019236
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[4-[[5-(4-bromophenyl)furan-2-yl]methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 24588444
1-[(4-chlorophenyl)methyl]-3-[(5-thiophen-3-ylfuran-2-yl)methyl]urea
CID 121019277
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
(5-thiophen-3-ylfuran-2-yl)methanol
CID 19744465
(E)-3-(furan-3-yl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]prop-2-enamide
CID 121019250
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide (CID 126854811) is 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide is O=C(CCc1ccccc1Br)NCc1ccc(-c2ccsc2)o1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide?
The InChIKey is MBXZDDHSFMHILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2S/c19-16-4-2-1-3-13(16)5-8-18(21)20-11-15-6-7-17(22-15)14-9-10-23-12-14/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,21).
What are the key properties of 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide?
3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide has a molecular weight of 390.30 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(5-thiophen-3-ylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 126854811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).