N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide

C12H19BrN2OS — CID 106048047

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-4-15-12(2,3)11(16)14-8-7-9-5-6-10(13)17-9/h5-6,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyVHJHXUPLTQHHBT-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 106048047) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID106048047
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C12H19BrN2OS/c1-4-15-12(2,3)11(16)14-8-7-9-5-6-10(13)17-9/h5-6,15H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyVHJHXUPLTQHHBT-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
2-(ethylamino)-N-[2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 62831566
3-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106040447
2-[[[2-(5-bromothiophen-2-yl)ethylamino]-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111384311
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide (CID 106048047) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is VHJHXUPLTQHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-4-15-12(2,3)11(16)14-8-7-9-5-6-10(13)17-9/h5-6,15H,4,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 319.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 106048047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).