3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide

C20H20BrNO3S2 — CID 31838012

IUPAC3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1OC
InChIInChI=1S/C20H20BrNO3S2/c1-3-25-19-17(21)10-14(11-18(19)24-2)20(23)22(12-15-6-4-8-26-15)13-16-7-5-9-27-16/h4-11H,3,12-13H2,1-2H3
InChIKeyFIGGVHSFHZKJDA-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.82
Rot. Bonds8

About 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide

3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31838012) has the molecular formula C20H20BrNO3S2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31838012
Molecular FormulaC20H20BrNO3S2
Molecular Weight466.42 g/mol
Exact Mass465.01
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCCOc1c(Br)cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1OC
InChIInChI=1S/C20H20BrNO3S2/c1-3-25-19-17(21)10-14(11-18(19)24-2)20(23)22(12-15-6-4-8-26-15)13-16-7-5-9-27-16/h4-11H,3,12-13H2,1-2H3
InChIKeyFIGGVHSFHZKJDA-UHFFFAOYSA-N
XLogP5.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838372
3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17473350
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
3,4-diethoxy-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801031
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate
CID 29183723
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
N-(4-fluorophenyl)-3,4,5-trimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17013553
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 42318884

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31838012) is 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide is CCOc1c(Br)cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is FIGGVHSFHZKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO3S2/c1-3-25-19-17(21)10-14(11-18(19)24-2)20(23)22(12-15-6-4-8-26-15)13-16-7-5-9-27-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide?
3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 466.42 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31838012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).