N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide

C15H17BrN2OS — CID 106050450

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NCCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-12-5-3-11(4-6-12)15(19)18-10-9-13-7-8-14(16)20-13/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyUYQSEOADZXVWRN-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.91
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide (PubChem CID 106050450) 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]-4-(ethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
PubChem CID106050450
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
SMILESCCNc1ccc(C(=O)NCCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-2-17-12-5-3-11(4-6-12)15(19)18-10-9-13-7-8-14(16)20-13/h3-8,17H,2,9-10H2,1H3,(H,18,19)
InChIKeyUYQSEOADZXVWRN-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]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
4-[(5-bromothiophen-2-yl)methylamino]-N-ethylbenzamide
CID 43728545
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
4-(ethylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169560
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
CID 106048047
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide (CID 106050450) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide is CCNc1ccc(C(=O)NCCc2ccc(Br)s2)cc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide?
The InChIKey is UYQSEOADZXVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-2-17-12-5-3-11(4-6-12)15(19)18-10-9-13-7-8-14(16)20-13/h3-8,17H,2,9-10H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(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]-4-(ethylamino)benzamide is sourced from PubChem (CID 106050450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).