5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide

C17H20BrNOS — CID 79988999

IUPAC5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(C(C)C)cc2)sc1Br
InChIInChI=1S/C17H20BrNOS/c1-10(2)13-5-7-14(8-6-13)12(4)19-17(20)15-9-11(3)16(18)21-15/h5-10,12H,1-4H3,(H,19,20)
InChIKeyDHRJZSZSJMWPII-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.43
Rot. Bonds4

About 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 79988999) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID79988999
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(C(C)C)cc2)sc1Br
InChIInChI=1S/C17H20BrNOS/c1-10(2)13-5-7-14(8-6-13)12(4)19-17(20)15-9-11(3)16(18)21-15/h5-10,12H,1-4H3,(H,19,20)
InChIKeyDHRJZSZSJMWPII-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 31495830
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 79998731
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987054
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79976141
4,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 80536523
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 79926896
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide (CID 79988999) is 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(C(C)C)cc2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is DHRJZSZSJMWPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-10(2)13-5-7-14(8-6-13)12(4)19-17(20)15-9-11(3)16(18)21-15/h5-10,12H,1-4H3,(H,19,20).
What are the key properties of 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 366.32 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 79988999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).