5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide

C15H17BrN2O2S — CID 34981283

IUPAC5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C15H17BrN2O2S/c16-14-6-5-12(20-14)15(19)17-10-11(13-4-3-9-21-13)18-7-1-2-8-18/h3-6,9,11H,1-2,7-8,10H2,(H,17,19)/t11-/m0/s1
InChIKeyBLAKJTVVWPWXRO-NSHDSACASA-N
MW369.28 g/mol
LogP3.67
Rot. Bonds5

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

5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide (PubChem CID 34981283) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
PubChem CID34981283
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C15H17BrN2O2S/c16-14-6-5-12(20-14)15(19)17-10-11(13-4-3-9-21-13)18-7-1-2-8-18/h3-6,9,11H,1-2,7-8,10H2,(H,17,19)/t11-/m0/s1
InChIKeyBLAKJTVVWPWXRO-NSHDSACASA-N
XLogP3.67
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 35043440
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CID 17012026
5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 35341949
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
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
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-7-bromo-4-oxochromene-2-carboxamide
CID 35575728
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-3-carboxamide
CID 39987542
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-6-ethyl-4-oxochromene-2-carboxamide
CID 35575834
6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35574647
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide (CID 34981283) is 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide is O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
The InChIKey is BLAKJTVVWPWXRO-NSHDSACASA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c16-14-6-5-12(20-14)15(19)17-10-11(13-4-3-9-21-13)18-7-1-2-8-18/h3-6,9,11H,1-2,7-8,10H2,(H,17,19)/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide?
5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide has a molecular weight of 369.28 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 34981283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).