N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide

C10H12BrNO2S — CID 47444217

IUPACN-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cc(Br)cs1)C1CCOC1
InChIInChI=1S/C10H12BrNO2S/c11-8-3-9(15-6-8)4-12-10(13)7-1-2-14-5-7/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKeyPYOSRRLELHEPHH-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.16
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide

N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide (PubChem CID 47444217) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide
PubChem CID47444217
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cc(Br)cs1)C1CCOC1
InChIInChI=1S/C10H12BrNO2S/c11-8-3-9(15-6-8)4-12-10(13)7-1-2-14-5-7/h3,6-7H,1-2,4-5H2,(H,12,13)
InChIKeyPYOSRRLELHEPHH-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide (CID 47444217) is N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide is O=C(NCc1cc(Br)cs1)C1CCOC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide?
The InChIKey is PYOSRRLELHEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-8-3-9(15-6-8)4-12-10(13)7-1-2-14-5-7/h3,6-7H,1-2,4-5H2,(H,12,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 47444217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).