N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide

C13H12BrNOS — CID 2960996

IUPACN-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNOS/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12/h2-9H,1H3,(H,15,16)
InChIKeyZHELTXWZAHZFBU-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.00
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide

N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 2960996) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
PubChem CID2960996
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNOS/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12/h2-9H,1H3,(H,15,16)
InChIKeyZHELTXWZAHZFBU-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide (CID 2960996) is N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is ZHELTXWZAHZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12/h2-9H,1H3,(H,15,16).
What are the key properties of N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide?
N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 310.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2960996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).