5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide

C18H20BrNO4S — CID 55708262

IUPAC5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(Br)s2)ccc1OCC1CCCO1
InChIInChI=1S/C18H20BrNO4S/c1-22-15-9-12(10-20-18(21)16-6-7-17(19)25-16)4-5-14(15)24-11-13-3-2-8-23-13/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,20,21)
InChIKeySFHLZOCPTZPYTM-UHFFFAOYSA-N
MW426.33 g/mol
LogP4.01
Rot. Bonds7

About 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide

5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 55708262) has the molecular formula C18H20BrNO4S and a molecular weight of 426.33 g/mol. Its IUPAC name is 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID55708262
Molecular FormulaC18H20BrNO4S
Molecular Weight426.33 g/mol
Exact Mass425.03
IUPAC Name5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2ccc(Br)s2)ccc1OCC1CCCO1
InChIInChI=1S/C18H20BrNO4S/c1-22-15-9-12(10-20-18(21)16-6-7-17(19)25-16)4-5-14(15)24-11-13-3-2-8-23-13/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,20,21)
InChIKeySFHLZOCPTZPYTM-UHFFFAOYSA-N
XLogP4.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481868
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
5-(1,3-benzothiazol-2-yl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46466481
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
5-ethoxy-4-methoxy-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-nitrobenzamide
CID 55708025
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051
2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46469744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 55708262) is 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide is COc1cc(CNC(=O)c2ccc(Br)s2)ccc1OCC1CCCO1.
What is the InChIKey of 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is SFHLZOCPTZPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4S/c1-22-15-9-12(10-20-18(21)16-6-7-17(19)25-16)4-5-14(15)24-11-13-3-2-8-23-13/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,20,21).
What are the key properties of 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 426.33 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55708262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).