2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide

C14H14BrNOS — CID 80958201

IUPAC2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2cccs2)c1
InChIInChI=1S/C14H14BrNOS/c1-9-5-6-12(15)11(8-9)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,1-2H3,(H,16,17)
InChIKeyKLOYDNLHKDFCIG-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide

2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 80958201) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID80958201
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2cccs2)c1
InChIInChI=1S/C14H14BrNOS/c1-9-5-6-12(15)11(8-9)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,1-2H3,(H,16,17)
InChIKeyKLOYDNLHKDFCIG-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
2-bromo-N-[1-(furan-2-yl)ethyl]-5-methylbenzamide
CID 80966287
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide (CID 80958201) is 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide is Cc1ccc(Br)c(C(=O)NC(C)c2cccs2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is KLOYDNLHKDFCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9-5-6-12(15)11(8-9)14(17)16-10(2)13-4-3-7-18-13/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide?
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 324.24 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 80958201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).