N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide

C14H14BrNOS — CID 3062013

IUPACN-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NC(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C14H14BrNOS/c1-10(17)16-13(14-3-2-8-18-14)9-11-4-6-12(15)7-5-11/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyYYPRSZYOLVPXFV-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide

N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide (PubChem CID 3062013) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide
PubChem CID3062013
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide
SMILESCC(=O)NC(Cc1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C14H14BrNOS/c1-10(17)16-13(14-3-2-8-18-14)9-11-4-6-12(15)7-5-11/h2-8,13H,9H2,1H3,(H,16,17)
InChIKeyYYPRSZYOLVPXFV-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromobenzyl)-2-(2-thienyl)acetamide
CID 1246426
N-(4-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834255
3-(4-bromophenyl)-N-(2-thienylmethyl)acrylamide
CID 887870
1-[3-(4-Bromophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2857076
N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 2960996
N-(1-phenylpropyl)-2-(2-thienyl)acetamide
CID 6470744
N-(3-bromobenzyl)-2-thien-2-ylacetamide
CID 6618871
3-[(5-bromo-2-thienyl)sulfonyl]-N-(4-methylbenzyl)propanamide
CID 6621348
N-benzyl-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 9551131
N-[(2-bromophenyl)methyl]-2-thiophenecarboxamide
CID 1246750
2-[(4-bromobenzyl)thio]-N-(1-phenylethyl)acetamide
CID 2967445
(1S,2S)-2-(4-Bromo-benzylamino)-cyclopentanecarboxylic acid ([2,2'''']bithiophenyl-5-ylmethyl)-amide
CID 44391533

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide (CID 3062013) is N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide is CC(=O)NC(Cc1ccc(Br)cc1)c1cccs1.
What is the InChIKey of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is YYPRSZYOLVPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10(17)16-13(14-3-2-8-18-14)9-11-4-6-12(15)7-5-11/h2-8,13H,9H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide?
N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 324.24 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 3062013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).