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

C10H15BrN2OS — CID 103808340

IUPAC3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-7(12)6-10(14)13-5-4-8-2-3-9(11)15-8/h2-3,7H,4-6,12H2,1H3,(H,13,14)
InChIKeyFXNQJQXIHDGKFR-UHFFFAOYSA-N
MW291.21 g/mol
LogP1.91
Rot. Bonds5

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

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide (PubChem CID 103808340) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
PubChem CID103808340
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C10H15BrN2OS/c1-7(12)6-10(14)13-5-4-8-2-3-9(11)15-8/h2-3,7H,4-6,12H2,1H3,(H,13,14)
InChIKeyFXNQJQXIHDGKFR-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5,5-dimethylhexanamide
CID 106048077
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
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
N-[2-(5-bromothiophen-2-yl)ethyl]-2-cyanoacetamide
CID 104696927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide (CID 103808340) is 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide is CC(N)CC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide?
The InChIKey is FXNQJQXIHDGKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-7(12)6-10(14)13-5-4-8-2-3-9(11)15-8/h2-3,7H,4-6,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide?
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide has a molecular weight of 291.21 g/mol, XLogP of 1.91, 5 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]butanamide is sourced from PubChem (CID 103808340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).