2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

C18H15BrN2O2S — CID 91630201

IUPAC2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2cccnc2-c2ccsc2)c1
InChIInChI=1S/C18H15BrN2O2S/c1-23-14-4-5-16(19)15(9-14)18(22)21-10-12-3-2-7-20-17(12)13-6-8-24-11-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyZHPFTSCIMWPOCJ-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.51
Rot. Bonds5

About 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 91630201) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID91630201
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2cccnc2-c2ccsc2)c1
InChIInChI=1S/C18H15BrN2O2S/c1-23-14-4-5-16(19)15(9-14)18(22)21-10-12-3-2-7-20-17(12)13-6-8-24-11-13/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyZHPFTSCIMWPOCJ-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 121177628
2-naphthalen-2-yloxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 121177728
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 91630201) is 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCc2cccnc2-c2ccsc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is ZHPFTSCIMWPOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-23-14-4-5-16(19)15(9-14)18(22)21-10-12-3-2-7-20-17(12)13-6-8-24-11-13/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 403.30 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91630201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).