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

C15H17BrN2OS — CID 106049295

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-13-6-4-3-5-12(13)15(19)18-10-9-11-7-8-14(16)20-11/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyIWHKKKNVPKWMCC-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.91
Rot. Bonds6

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

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide (PubChem CID 106049295) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
PubChem CID106049295
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
SMILESCCNc1ccccc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-13-6-4-3-5-12(13)15(19)18-10-9-11-7-8-14(16)20-11/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyIWHKKKNVPKWMCC-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.91
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
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
CID 106033436
N-[2-(5-bromothiophen-2-yl)ethyl]-2-nitrobenzamide
CID 26082247
2-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 62180979
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
CID 106048047
N-[(5-bromothiophen-2-yl)methyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105070295
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide (CID 106049295) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide is CCNc1ccccc1C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide?
The InChIKey is IWHKKKNVPKWMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-17-13-6-4-3-5-12(13)15(19)18-10-9-11-7-8-14(16)20-11/h3-8,17H,2,9-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide has a molecular weight of 353.29 g/mol, XLogP of 3.91, 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)benzamide is sourced from PubChem (CID 106049295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).