5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide

C17H21BrN2OS — CID 46578078

IUPAC5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2csc(Br)c2)N(C)C)cc1
InChIInChI=1S/C17H21BrN2OS/c1-4-12-5-7-13(8-6-12)15(20(2)3)10-19-17(21)14-9-16(18)22-11-14/h5-9,11,15H,4,10H2,1-3H3,(H,19,21)
InChIKeyZTLKIYBZBNITLL-UHFFFAOYSA-N
MW381.34 g/mol
LogP4.11
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide

5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 46578078) has the molecular formula C17H21BrN2OS and a molecular weight of 381.34 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID46578078
Molecular FormulaC17H21BrN2OS
Molecular Weight381.34 g/mol
Exact Mass380.06
IUPAC Name5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2csc(Br)c2)N(C)C)cc1
InChIInChI=1S/C17H21BrN2OS/c1-4-12-5-7-13(8-6-12)15(20(2)3)10-19-17(21)14-9-16(18)22-11-14/h5-9,11,15H,4,10H2,1-3H3,(H,19,21)
InChIKeyZTLKIYBZBNITLL-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methoxybenzamide
CID 112506532
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[2-(dimethylamino)-2-phenylethyl]-5-iodothiophene-3-carboxamide
CID 78949054
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-3-methoxybenzamide
CID 46522678
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-hydroxy-4-nitrobenzamide
CID 24640224
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide (CID 46578078) is 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide is CCc1ccc(C(CNC(=O)c2csc(Br)c2)N(C)C)cc1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is ZTLKIYBZBNITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2OS/c1-4-12-5-7-13(8-6-12)15(20(2)3)10-19-17(21)14-9-16(18)22-11-14/h5-9,11,15H,4,10H2,1-3H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 381.34 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 46578078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).