3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide

C14H23BrN2OS — CID 106048077

IUPAC3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C14H23BrN2OS/c1-14(2,3)9-10(16)8-13(18)17-7-6-11-4-5-12(15)19-11/h4-5,10H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyQDGAQHPCDLETIR-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.32
Rot. Bonds6

About 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide (PubChem CID 106048077) has the molecular formula C14H23BrN2OS and a molecular weight of 347.32 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
PubChem CID106048077
Molecular FormulaC14H23BrN2OS
Molecular Weight347.32 g/mol
Exact Mass346.07
IUPAC Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C14H23BrN2OS/c1-14(2,3)9-10(16)8-13(18)17-7-6-11-4-5-12(15)19-11/h4-5,10H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyQDGAQHPCDLETIR-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
(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
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
3-amino-5,5-dimethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexanamide
CID 114183576
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
3-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 106040447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
The IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide (CID 106048077) is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
The canonical SMILES for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide is CC(C)(C)CC(N)CC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
The InChIKey is QDGAQHPCDLETIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS/c1-14(2,3)9-10(16)8-13(18)17-7-6-11-4-5-12(15)19-11/h4-5,10H,6-9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide?
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide has a molecular weight of 347.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 106048077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).