N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C18H20BrN3O4S — CID 126189694

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)N/N=C\c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C18H20BrN3O4S/c1-3-26-17-11-7-6-10-16(17)22(27(2,24)25)13-18(23)21-20-12-14-8-4-5-9-15(14)19/h4-12H,3,13H2,1-2H3,(H,21,23)/b20-12-
InChIKeyCNMCITIKWWOWGU-NDENLUEZSA-N
MW454.35 g/mol
LogP2.76
Rot. Bonds8

About N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 126189694) has the molecular formula C18H20BrN3O4S and a molecular weight of 454.35 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID126189694
Molecular FormulaC18H20BrN3O4S
Molecular Weight454.35 g/mol
Exact Mass453.04
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)N/N=C\c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C18H20BrN3O4S/c1-3-26-17-11-7-6-10-16(17)22(27(2,24)25)13-18(23)21-20-12-14-8-4-5-9-15(14)19/h4-12H,3,13H2,1-2H3,(H,21,23)/b20-12-
InChIKeyCNMCITIKWWOWGU-NDENLUEZSA-N
XLogP2.76
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-N-methylsulfonylanilino)-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 92661124
2-(2-bromo-N-methylsulfonylanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3909371
2-(2-bromo-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135890915
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 3618389
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98076446
2-(2-ethoxy-N-methylsulfonylanilino)-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126191537
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137077858
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 126189881
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6867768
2-(2-bromo-N-methylsulfonylanilino)-N-[[4-(cyanomethoxy)phenyl]methylideneamino]acetamide
CID 4688244
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 137025073
N-butan-2-yl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 3139134

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 126189694) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)N/N=C\c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is CNMCITIKWWOWGU-NDENLUEZSA-N. The full InChI is InChI=1S/C18H20BrN3O4S/c1-3-26-17-11-7-6-10-16(17)22(27(2,24)25)13-18(23)21-20-12-14-8-4-5-9-15(14)19/h4-12H,3,13H2,1-2H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 454.35 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126189694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).