N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide

C11H14BrNO2S — CID 39819742

IUPACN-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)C1CCOCC1
InChIInChI=1S/C11H14BrNO2S/c12-10-5-8(7-16-10)6-13-11(14)9-1-3-15-4-2-9/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyUMXBVMZWQUEZHC-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.55
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide

N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide (PubChem CID 39819742) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide
PubChem CID39819742
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1csc(Br)c1)C1CCOCC1
InChIInChI=1S/C11H14BrNO2S/c12-10-5-8(7-16-10)6-13-11(14)9-1-3-15-4-2-9/h5,7,9H,1-4,6H2,(H,13,14)
InChIKeyUMXBVMZWQUEZHC-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide (CID 39819742) is N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide is O=C(NCc1csc(Br)c1)C1CCOCC1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is UMXBVMZWQUEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-5-8(7-16-10)6-13-11(14)9-1-3-15-4-2-9/h5,7,9H,1-4,6H2,(H,13,14).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 39819742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).