N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide

C14H13BrN2O2S — CID 4785348

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H13BrN2O2S/c15-11-3-1-2-4-12(11)17-14(19)8-16-13(18)7-10-5-6-20-9-10/h1-6,9H,7-8H2,(H,16,18)(H,17,19)
InChIKeyIZADUMSBLZSLRX-UHFFFAOYSA-N
MW353.24 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide (PubChem CID 4785348) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
PubChem CID4785348
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H13BrN2O2S/c15-11-3-1-2-4-12(11)17-14(19)8-16-13(18)7-10-5-6-20-9-10/h1-6,9H,7-8H2,(H,16,18)(H,17,19)
InChIKeyIZADUMSBLZSLRX-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide (CID 4785348) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
The InChIKey is IZADUMSBLZSLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-11-3-1-2-4-12(11)17-14(19)8-16-13(18)7-10-5-6-20-9-10/h1-6,9H,7-8H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide has a molecular weight of 353.24 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 4785348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).