N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

C17H21BrN2OS — CID 55381742

IUPACN-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)NC(C)c1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C17H21BrN2OS/c1-3-20(11-16-5-4-10-22-16)12-17(21)19-13(2)14-6-8-15(18)9-7-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyQZLFEQVCOFJKIT-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.21
Rot. Bonds7

About N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide

N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 55381742) has the molecular formula C17H21BrN2OS and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID55381742
Molecular FormulaC17H21BrN2OS
Molecular Weight381.34 g/mol
Exact Mass380.06
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)NC(C)c1ccc(Br)cc1)Cc1cccs1
InChIInChI=1S/C17H21BrN2OS/c1-3-20(11-16-5-4-10-22-16)12-17(21)19-13(2)14-6-8-15(18)9-7-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyQZLFEQVCOFJKIT-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
2-[ethyl-[2-oxo-2-[1-(4-phenylphenyl)ethylamino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 17498277
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
N-[1-(4-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl-ethylamino]acetamide
CID 46516037
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798730
N-(4-bromo-2-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718056
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198
N-hydroxy-2-[propyl(thiophen-2-ylmethyl)amino]acetamide
CID 59105569
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide (CID 55381742) is N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is CCN(CC(=O)NC(C)c1ccc(Br)cc1)Cc1cccs1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is QZLFEQVCOFJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2OS/c1-3-20(11-16-5-4-10-22-16)12-17(21)19-13(2)14-6-8-15(18)9-7-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide?
N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 381.34 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 55381742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).