5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C16H12BrNO2S — CID 38404678

IUPAC5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrNO2S/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(19)18-10-13-2-1-9-20-13/h1-9H,10H2,(H,18,19)
InChIKeyXRUCCUMTYVXGCB-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide

5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 38404678) has the molecular formula C16H12BrNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID38404678
Molecular FormulaC16H12BrNO2S
Molecular Weight362.25 g/mol
Exact Mass360.98
IUPAC Name5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C16H12BrNO2S/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(19)18-10-13-2-1-9-20-13/h1-9H,10H2,(H,18,19)
InChIKeyXRUCCUMTYVXGCB-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

5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
5-bromo-N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55825095
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847849
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 18192437
N-(2-amino-2-methylpropyl)-5-(4-bromophenyl)thiophene-2-carboxamide;hydrochloride
CID 119627329
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11610434
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18109835

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 38404678) is 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccco1)c1ccc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is XRUCCUMTYVXGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2S/c17-12-5-3-11(4-6-12)14-7-8-15(21-14)16(19)18-10-13-2-1-9-20-13/h1-9H,10H2,(H,18,19).
What are the key properties of 5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
5-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-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-(4-bromophenyl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 38404678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).