N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide

C14H13BrN2O2S — CID 2336640

IUPACN-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide
SMILESC=C(NOCC(=O)Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H13BrN2O2S/c1-10(13-7-4-8-20-13)17-19-9-14(18)16-12-6-3-2-5-11(12)15/h2-8,17H,1,9H2,(H,16,18)
InChIKeyNIHVZXUUGHFINK-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.64
Rot. Bonds6

About N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide

N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide (PubChem CID 2336640) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide
PubChem CID2336640
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide
SMILESC=C(NOCC(=O)Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C14H13BrN2O2S/c1-10(13-7-4-8-20-13)17-19-9-14(18)16-12-6-3-2-5-11(12)15/h2-8,17H,1,9H2,(H,16,18)
InChIKeyNIHVZXUUGHFINK-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(1-thiophen-2-ylethenylamino)oxyacetamide
CID 90912190
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
2-(2-amino-2-methylpropoxy)-N-(2-bromophenyl)acetamide
CID 64537800
[2-(2-bromoanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987566
[2-(naphthalen-1-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 733915
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
[2-(2-bromoanilino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46640258
[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate
CID 6309724
[2-oxo-2-(2-propan-2-ylanilino)ethyl] thiophene-2-carboxylate
CID 725009
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
[2-(2-bromoanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625531
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide?
The IUPAC name of N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide (CID 2336640) is N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide is C=C(NOCC(=O)Nc1ccccc1Br)c1cccs1.
What is the InChIKey of N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide?
The InChIKey is NIHVZXUUGHFINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-10(13-7-4-8-20-13)17-19-9-14(18)16-12-6-3-2-5-11(12)15/h2-8,17H,1,9H2,(H,16,18).
What are the key properties of N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide?
N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide has a molecular weight of 353.24 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide is sourced from PubChem (CID 2336640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).