2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide

C14H15BrN2OS — CID 54898078

IUPAC2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2OS/c1-9(12-6-7-13(15)19-12)17-11-4-2-10(3-5-11)8-14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyWCHRQPOBIFPWNW-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.71
Rot. Bonds5

About 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide

2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide (PubChem CID 54898078) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
PubChem CID54898078
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
SMILESCC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2OS/c1-9(12-6-7-13(15)19-12)17-11-4-2-10(3-5-11)8-14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18)
InChIKeyWCHRQPOBIFPWNW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(5-ethylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 61334963
2-[4-[1-(2,4-dibromophenyl)ethylamino]phenyl]acetamide
CID 60782010
propan-2-yl 4-[1-(5-bromothiophen-2-yl)ethylamino]benzoate
CID 63427373
2-[4-(2-amino-2-oxoethyl)anilino]propanoic acid
CID 66173321
2-[4-[1-(4-bromo-2-chlorophenyl)ethylamino]phenyl]acetamide
CID 82775381
2-[4-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43724150
2-[4-[1-(4-methylsulfanylphenyl)ethylamino]phenyl]acetamide
CID 43724125
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
2-[4-[1-(5-methylthiophen-2-yl)ethylamino]phenoxy]acetamide
CID 43711136
2-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]acetamide
CID 64630132
2-[4-(2,4-dimethylpentylamino)phenyl]acetamide
CID 114200586
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide (CID 54898078) is 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide is CC(Nc1ccc(CC(N)=O)cc1)c1ccc(Br)s1.
What is the InChIKey of 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is WCHRQPOBIFPWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-9(12-6-7-13(15)19-12)17-11-4-2-10(3-5-11)8-14(16)18/h2-7,9,17H,8H2,1H3,(H2,16,18).
What are the key properties of 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide?
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 339.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 54898078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).