3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide

C15H15BrN2O2S — CID 18117344

IUPAC3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccsc1)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c1-18(9-11-5-6-21-10-11)14(19)8-17-15(20)12-3-2-4-13(16)7-12/h2-7,10H,8-9H2,1H3,(H,17,20)
InChIKeyRERAYFSEMVBIMG-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.90
Rot. Bonds5

About 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 18117344) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID18117344
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccsc1)C(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c1-18(9-11-5-6-21-10-11)14(19)8-17-15(20)12-3-2-4-13(16)7-12/h2-7,10H,8-9H2,1H3,(H,17,20)
InChIKeyRERAYFSEMVBIMG-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 26619302
3-bromo-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]benzamide
CID 52599948
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 51161234
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119658376
N-[2-[methyl(naphthalen-1-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 86832135
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 8574101
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide (CID 18117344) is 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide is CN(Cc1ccsc1)C(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is RERAYFSEMVBIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-18(9-11-5-6-21-10-11)14(19)8-17-15(20)12-3-2-4-13(16)7-12/h2-7,10H,8-9H2,1H3,(H,17,20).
What are the key properties of 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 367.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18117344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).