2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

C15H16BrN3O3S2 — CID 5349916

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1cccs1
InChIInChI=1S/C15H16BrN3O3S2/c1-11(14-8-5-9-23-14)17-18-15(20)10-19(24(2,21)22)13-7-4-3-6-12(13)16/h3-9H,10H2,1-2H3,(H,18,20)/b17-11+
InChIKeyRBKAGOSLXGANRZ-GZTJUZNOSA-N
MW430.35 g/mol
LogP2.82
Rot. Bonds6

About 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide

2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 5349916) has the molecular formula C15H16BrN3O3S2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID5349916
Molecular FormulaC15H16BrN3O3S2
Molecular Weight430.35 g/mol
Exact Mass428.98
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1cccs1
InChIInChI=1S/C15H16BrN3O3S2/c1-11(14-8-5-9-23-14)17-18-15(20)10-19(24(2,21)22)13-7-4-3-6-12(13)16/h3-9H,10H2,1-2H3,(H,18,20)/b17-11+
InChIKeyRBKAGOSLXGANRZ-GZTJUZNOSA-N
XLogP2.82
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide (CID 5349916) is 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1cccs1.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is RBKAGOSLXGANRZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H16BrN3O3S2/c1-11(14-8-5-9-23-14)17-18-15(20)10-19(24(2,21)22)13-7-4-3-6-12(13)16/h3-9H,10H2,1-2H3,(H,18,20)/b17-11+.
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 430.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 5349916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).