5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide

C16H12BrNO2S — CID 90597008

IUPAC5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1-c1ccsc1)c1ccc(Br)o1
InChIInChI=1S/C16H12BrNO2S/c17-15-6-5-14(20-15)16(19)18-9-11-3-1-2-4-13(11)12-7-8-21-10-12/h1-8,10H,9H2,(H,18,19)
InChIKeyUUYAQOWSYYFBJU-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.70
Rot. Bonds4

About 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 90597008) has the molecular formula C16H12BrNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
PubChem CID90597008
Molecular FormulaC16H12BrNO2S
Molecular Weight362.25 g/mol
Exact Mass360.98
IUPAC Name5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1-c1ccsc1)c1ccc(Br)o1
InChIInChI=1S/C16H12BrNO2S/c17-15-6-5-14(20-15)16(19)18-9-11-3-1-2-4-13(11)12-7-8-21-10-12/h1-8,10H,9H2,(H,18,19)
InChIKeyUUYAQOWSYYFBJU-UHFFFAOYSA-N
XLogP4.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
N-[(2-thiophen-3-ylphenyl)methyl]prop-2-ynamide
CID 90596997
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
3-phenyl-N-[(2-thiophen-3-ylphenyl)methyl]propanamide
CID 90596831
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
1-(2-chlorophenyl)-3-[(2-thiophen-3-ylphenyl)methyl]urea
CID 71809975

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide (CID 90597008) is 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide is O=C(NCc1ccccc1-c1ccsc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is UUYAQOWSYYFBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2S/c17-15-6-5-14(20-15)16(19)18-9-11-3-1-2-4-13(11)12-7-8-21-10-12/h1-8,10H,9H2,(H,18,19).
What are the key properties of 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 90597008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).