N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide

C14H12BrN3O4S — CID 7761399

IUPACN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1
InChIInChI=1S/C14H12BrN3O4S/c1-9(12-6-7-13(15)23-12)16-17-14(19)8-22-11-5-3-2-4-10(11)18(20)21/h2-7H,8H2,1H3,(H,17,19)/b16-9-
InChIKeyGXTYWNFHWBOPTA-SXGWCWSVSA-N
MW398.24 g/mol
LogP3.34
Rot. Bonds6

About N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 7761399) has the molecular formula C14H12BrN3O4S and a molecular weight of 398.24 g/mol. Its IUPAC name is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID7761399
Molecular FormulaC14H12BrN3O4S
Molecular Weight398.24 g/mol
Exact Mass396.97
IUPAC NameN-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1
InChIInChI=1S/C14H12BrN3O4S/c1-9(12-6-7-13(15)23-12)16-17-14(19)8-22-11-5-3-2-4-10(11)18(20)21/h2-7H,8H2,1H3,(H,17,19)/b16-9-
InChIKeyGXTYWNFHWBOPTA-SXGWCWSVSA-N
XLogP3.34
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-nitrophenoxy)-N-[1-(5-bromothiophen-2-yl)ethylideneamino]acetamide
CID 2835488
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316947
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
(2S)-N-[1-(5-bromothiophen-2-yl)propylideneamino]-2-(2-nitrophenoxy)propanamide
CID 129441143
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 135811597
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
N'-(5-bromothiophen-2-yl)sulfonyl-2-(2-nitrophenoxy)acetohydrazide
CID 25469049
2-(2-nitrophenoxy)-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 171980830

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide (CID 7761399) is N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide is C/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)s1.
What is the InChIKey of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is GXTYWNFHWBOPTA-SXGWCWSVSA-N. The full InChI is InChI=1S/C14H12BrN3O4S/c1-9(12-6-7-13(15)23-12)16-17-14(19)8-22-11-5-3-2-4-10(11)18(20)21/h2-7H,8H2,1H3,(H,17,19)/b16-9-.
What are the key properties of N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 398.24 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7761399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).