N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide

C15H16BrNOS — CID 82707214

IUPACN-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
SMILESCc1ccc(Br)c(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C15H16BrNOS/c1-11-7-8-13(16)14(10-11)17-15(18)6-2-4-12-5-3-9-19-12/h3,5,7-10H,2,4,6H2,1H3,(H,17,18)
InChIKeyFFBHNWPEMICVKX-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.78
Rot. Bonds5

About N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide

N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide (PubChem CID 82707214) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
PubChem CID82707214
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC NameN-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
SMILESCc1ccc(Br)c(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C15H16BrNOS/c1-11-7-8-13(16)14(10-11)17-15(18)6-2-4-12-5-3-9-19-12/h3,5,7-10H,2,4,6H2,1H3,(H,17,18)
InChIKeyFFBHNWPEMICVKX-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
4-amino-N-(2-bromo-5-methylphenyl)butanamide
CID 82757472
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(5-amino-4-methyl-2-pyridinyl)-4-thiophen-2-ylbutanamide
CID 61293337
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-ylpentanamide
CID 5234627
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide (CID 82707214) is N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide is Cc1ccc(Br)c(NC(=O)CCCc2cccs2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide?
The InChIKey is FFBHNWPEMICVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-11-7-8-13(16)14(10-11)17-15(18)6-2-4-12-5-3-9-19-12/h3,5,7-10H,2,4,6H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide?
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide has a molecular weight of 338.27 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 82707214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).