5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide

C16H19BrN2O2S — CID 35043440

IUPAC5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H19BrN2O2S/c17-15-7-6-13(21-15)16(20)18-11-12(14-5-4-10-22-14)19-8-2-1-3-9-19/h4-7,10,12H,1-3,8-9,11H2,(H,18,20)/t12-/m1/s1
InChIKeyALKDTCCYRWXJTJ-GFCCVEGCSA-N
MW383.31 g/mol
LogP4.06
Rot. Bonds5

About 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide

5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 35043440) has the molecular formula C16H19BrN2O2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
PubChem CID35043440
Molecular FormulaC16H19BrN2O2S
Molecular Weight383.31 g/mol
Exact Mass382.04
IUPAC Name5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C16H19BrN2O2S/c17-15-7-6-13(21-15)16(20)18-11-12(14-5-4-10-22-14)19-8-2-1-3-9-19/h4-7,10,12H,1-3,8-9,11H2,(H,18,20)/t12-/m1/s1
InChIKeyALKDTCCYRWXJTJ-GFCCVEGCSA-N
XLogP4.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 34981283
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 35341949
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 45154972
6,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574665
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide (CID 35043440) is 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide is O=C(NC[C@H](c1cccs1)N1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The InChIKey is ALKDTCCYRWXJTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19BrN2O2S/c17-15-7-6-13(21-15)16(20)18-11-12(14-5-4-10-22-14)19-8-2-1-3-9-19/h4-7,10,12H,1-3,8-9,11H2,(H,18,20)/t12-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 383.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 35043440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).