2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide

C15H17BrN2O2S — CID 106047194

IUPAC2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCCc2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-20-12-4-2-3-11(9-12)18-15(19)10-17-8-7-13-5-6-14(16)21-13/h2-6,9,17H,7-8,10H2,1H3,(H,18,19)
InChIKeyNWJKOBMRYOXXNQ-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.29
Rot. Bonds7

About 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 106047194) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID106047194
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCCc2ccc(Br)s2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-20-12-4-2-3-11(9-12)18-15(19)10-17-8-7-13-5-6-14(16)21-13/h2-6,9,17H,7-8,10H2,1H3,(H,18,19)
InChIKeyNWJKOBMRYOXXNQ-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-fluorophenyl)acetamide
CID 106046896
N-(3-methoxyphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetamide
CID 106417232
2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 61012579
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(3-methoxyphenyl)acetamide
CID 9299825
(5-bromothiophen-2-yl)methyl-[2-(3-methoxyanilino)-2-oxoethyl]-prop-2-enylazanium
CID 9299824
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
N-(3-methoxyphenyl)-2-(2-thiomorpholin-4-ylethylamino)acetamide
CID 106325697
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide (CID 106047194) is 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNCCc2ccc(Br)s2)c1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NWJKOBMRYOXXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-20-12-4-2-3-11(9-12)18-15(19)10-17-8-7-13-5-6-14(16)21-13/h2-6,9,17H,7-8,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 369.28 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 106047194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).