N-[2-(5-bromothiophen-3-yl)ethyl]benzamide

C13H12BrNOS — CID 67335982

IUPACN-[2-(5-bromothiophen-3-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(Br)c1)c1ccccc1
InChIInChI=1S/C13H12BrNOS/c14-12-8-10(9-17-12)6-7-15-13(16)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyZQOQHYPHEKPXEW-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.48
Rot. Bonds4

About N-[2-(5-bromothiophen-3-yl)ethyl]benzamide

N-[2-(5-bromothiophen-3-yl)ethyl]benzamide (PubChem CID 67335982) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-3-yl)ethyl]benzamide
PubChem CID67335982
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-[2-(5-bromothiophen-3-yl)ethyl]benzamide
SMILESO=C(NCCc1csc(Br)c1)c1ccccc1
InChIInChI=1S/C13H12BrNOS/c14-12-8-10(9-17-12)6-7-15-13(16)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,15,16)
InChIKeyZQOQHYPHEKPXEW-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(5-bromothiophene-3-carbonyl)amino]ethyl]benzoic acid
CID 63794042
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[(5-bromothiophen-3-yl)methyl]thiophene-3-carboxamide
CID 47183552
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-bromothiophen-3-yl)ethyl]benzamide (CID 67335982) is N-[2-(5-bromothiophen-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-bromothiophen-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-bromothiophen-3-yl)ethyl]benzamide is O=C(NCCc1csc(Br)c1)c1ccccc1.
What is the InChIKey of N-[2-(5-bromothiophen-3-yl)ethyl]benzamide?
The InChIKey is ZQOQHYPHEKPXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-12-8-10(9-17-12)6-7-15-13(16)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,15,16).
What are the key properties of N-[2-(5-bromothiophen-3-yl)ethyl]benzamide?
N-[2-(5-bromothiophen-3-yl)ethyl]benzamide has a molecular weight of 310.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-3-yl)ethyl]benzamide is sourced from PubChem (CID 67335982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).