2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide

C16H19BrN2OS — CID 106048013

IUPAC2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C16H19BrN2OS/c17-15-9-7-13(21-15)10-11-19-16(20)14(18)8-6-12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11,18H2,(H,19,20)
InChIKeyYILLLKLYMQSPCT-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.13
Rot. Bonds7

About 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide (PubChem CID 106048013) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
PubChem CID106048013
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
SMILESNC(CCc1ccccc1)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C16H19BrN2OS/c17-15-9-7-13(21-15)10-11-19-16(20)14(18)8-6-12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11,18H2,(H,19,20)
InChIKeyYILLLKLYMQSPCT-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
CID 112735476
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide (CID 106048013) is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide is NC(CCc1ccccc1)C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide?
The InChIKey is YILLLKLYMQSPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c17-15-9-7-13(21-15)10-11-19-16(20)14(18)8-6-12-4-2-1-3-5-12/h1-5,7,9,14H,6,8,10-11,18H2,(H,19,20).
What are the key properties of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide?
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide has a molecular weight of 367.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide is sourced from PubChem (CID 106048013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).