2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide

C14H15BrN2OS — CID 66480373

IUPAC2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCc1cc(C(NCc2cccs2)C(N)=O)ccc1Br
InChIInChI=1S/C14H15BrN2OS/c1-9-7-10(4-5-12(9)15)13(14(16)18)17-8-11-3-2-6-19-11/h2-7,13,17H,8H2,1H3,(H2,16,18)
InChIKeyWLMLFOPOROWIEY-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide

2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 66480373) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID66480373
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCc1cc(C(NCc2cccs2)C(N)=O)ccc1Br
InChIInChI=1S/C14H15BrN2OS/c1-9-7-10(4-5-12(9)15)13(14(16)18)17-8-11-3-2-6-19-11/h2-7,13,17H,8H2,1H3,(H2,16,18)
InChIKeyWLMLFOPOROWIEY-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66478987
2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54890942
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
1-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66480167
ethyl 2-(3-bromo-4-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 83233271
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
2-(4-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 79983660
2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 114453595
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891133
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 102840934
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
2-(benzylamino)-2-(3-bromo-4-methylphenyl)acetamide
CID 105401783

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide (CID 66480373) is 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide is Cc1cc(C(NCc2cccs2)C(N)=O)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is WLMLFOPOROWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9-7-10(4-5-12(9)15)13(14(16)18)17-8-11-3-2-6-19-11/h2-7,13,17H,8H2,1H3,(H2,16,18).
What are the key properties of 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide?
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 339.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 66480373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).