5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

C10H12BrNO2S — CID 17191115

IUPAC5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c11-9-4-3-8(15-9)10(13)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyPUFMJUNWICAGME-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.42
Rot. Bonds3

About 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 17191115) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID17191115
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO2S/c11-9-4-3-8(15-9)10(13)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKeyPUFMJUNWICAGME-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
4-bromo-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 6464670
5-bromo-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2225398
5-bromo-N-[4-[(5-bromothiophene-2-carbonyl)amino]butyl]thiophene-2-carboxamide
CID 2309203
4-bromo-5-ethyl-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 2971430
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
4,5-dibromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17404815
5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 1245660
(4,5-Dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161803
5-bromo-N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 2971594
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 17191115) is 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCCO1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is PUFMJUNWICAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-4-3-8(15-9)10(13)12-6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 290.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 17191115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).