2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide

C14H15BrN2O2S — CID 61012579

IUPAC2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-19-11-4-2-10(3-5-11)17-14(18)9-16-8-12-6-7-13(15)20-12/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyURBBXCUJPVZLME-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.25
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide

2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 61012579) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID61012579
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CNCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-19-11-4-2-10(3-5-11)17-14(18)9-16-8-12-6-7-13(15)20-12/h2-7,16H,8-9H2,1H3,(H,17,18)
InChIKeyURBBXCUJPVZLME-UHFFFAOYSA-N
XLogP3.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281225
N-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 43242497
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 19164026
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]acetamide
CID 54838346
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
CID 106047194
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
N-(4-methoxyphenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62845557
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]acetamide
CID 24718593

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide (CID 61012579) is 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CNCc2ccc(Br)s2)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is URBBXCUJPVZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-19-11-4-2-10(3-5-11)17-14(18)9-16-8-12-6-7-13(15)20-12/h2-7,16H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide?
2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 355.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 61012579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).