5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide

C17H20BrNOS — CID 63523702

IUPAC5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20BrNOS/c1-11(19-16(20)13-9-15(18)21-10-13)12-5-7-14(8-6-12)17(2,3)4/h5-11H,1-4H3,(H,19,20)
InChIKeyHPNGWQZMYXQKGL-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.30
Rot. Bonds3

About 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide

5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 63523702) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID63523702
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20BrNOS/c1-11(19-16(20)13-9-15(18)21-10-13)12-5-7-14(8-6-12)17(2,3)4/h5-11H,1-4H3,(H,19,20)
InChIKeyHPNGWQZMYXQKGL-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-5-ethylthiophene-3-carboxamide
CID 51852817
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
CID 63525114
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
5-bromo-N-[1-(3-nitrophenyl)ethyl]thiophene-3-carboxamide
CID 47267855
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide (CID 63523702) is 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1csc(Br)c1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is HPNGWQZMYXQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-11(19-16(20)13-9-15(18)21-10-13)12-5-7-14(8-6-12)17(2,3)4/h5-11H,1-4H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide?
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 366.32 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 63523702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).