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

C15H17BrN2OS — CID 26082273

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-18(2)12-5-3-11(4-6-12)15(19)17-10-9-13-7-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyHUDYPNOPSCKGHO-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.55
Rot. Bonds5

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

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide (PubChem CID 26082273) 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-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
PubChem CID26082273
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCCc2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2OS/c1-18(2)12-5-3-11(4-6-12)15(19)17-10-9-13-7-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyHUDYPNOPSCKGHO-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
4-(dimethylamino)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]benzamide
CID 163347241
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
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746492
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide (CID 26082273) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCCc2ccc(Br)s2)cc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide?
The InChIKey is HUDYPNOPSCKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-18(2)12-5-3-11(4-6-12)15(19)17-10-9-13-7-8-14(16)20-13/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide has a molecular weight of 353.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 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-(dimethylamino)benzamide is sourced from PubChem (CID 26082273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).