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

C12H16BrNO2S — CID 17173841

IUPAC4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC2CCCO2)cc1Br
InChIInChI=1S/C12H16BrNO2S/c1-2-10-9(13)6-11(17-10)12(15)14-7-8-4-3-5-16-8/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyCHEDXYCWIQVVQO-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.98
Rot. Bonds4

About 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 17173841) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID17173841
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCC2CCCO2)cc1Br
InChIInChI=1S/C12H16BrNO2S/c1-2-10-9(13)6-11(17-10)12(15)14-7-8-4-3-5-16-8/h6,8H,2-5,7H2,1H3,(H,14,15)
InChIKeyCHEDXYCWIQVVQO-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47398499
4,5-dibromo-N-[3-(oxolan-2-ylmethoxy)propyl]thiophene-2-carboxamide
CID 78912774
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide (CID 17173841) is 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is CCc1sc(C(=O)NCC2CCCO2)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is CHEDXYCWIQVVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-2-10-9(13)6-11(17-10)12(15)14-7-8-4-3-5-16-8/h6,8H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide?
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 17173841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).