4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

C13H18BrNO3S — CID 111471513

IUPAC4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1c(C(=O)NCC2CCCC2O)sc(C)c1Br
InChIInChI=1S/C13H18BrNO3S/c1-7-10(14)11(18-2)12(19-7)13(17)15-6-8-4-3-5-9(8)16/h8-9,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyDUIQDCDKVFZVEL-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.72
Rot. Bonds4

About 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide

4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 111471513) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID111471513
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1c(C(=O)NCC2CCCC2O)sc(C)c1Br
InChIInChI=1S/C13H18BrNO3S/c1-7-10(14)11(18-2)12(19-7)13(17)15-6-8-4-3-5-9(8)16/h8-9,16H,3-6H2,1-2H3,(H,15,17)
InChIKeyDUIQDCDKVFZVEL-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 111471513) is 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1c(C(=O)NCC2CCCC2O)sc(C)c1Br.
What is the InChIKey of 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is DUIQDCDKVFZVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-7-10(14)11(18-2)12(19-7)13(17)15-6-8-4-3-5-9(8)16/h8-9,16H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide?
4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 348.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-hydroxycyclopentyl)methyl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 111471513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).