2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide

C18H19BrN4O4S — CID 92513101

IUPAC2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN4O4S/c1-13(24)21-15-7-9-16(10-8-15)28(26,27)23(2)12-18(25)22-20-11-14-5-3-4-6-17(14)19/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)/b20-11-
InChIKeySTFWSIYHVUKZJC-JAIQZWGSSA-N
MW467.35 g/mol
LogP2.18
Rot. Bonds7

About 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide (PubChem CID 92513101) has the molecular formula C18H19BrN4O4S and a molecular weight of 467.35 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
PubChem CID92513101
Molecular FormulaC18H19BrN4O4S
Molecular Weight467.35 g/mol
Exact Mass466.03
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Br)cc1
InChIInChI=1S/C18H19BrN4O4S/c1-13(24)21-15-7-9-16(10-8-15)28(26,27)23(2)12-18(25)22-20-11-14-5-3-4-6-17(14)19/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)/b20-11-
InChIKeySTFWSIYHVUKZJC-JAIQZWGSSA-N
XLogP2.18
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 93050526
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92513080
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 92511364
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
methyl 4-[(Z)-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoate
CID 92513082
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide (CID 92513101) is 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Br)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide?
The InChIKey is STFWSIYHVUKZJC-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19BrN4O4S/c1-13(24)21-15-7-9-16(10-8-15)28(26,27)23(2)12-18(25)22-20-11-14-5-3-4-6-17(14)19/h3-11H,12H2,1-2H3,(H,21,24)(H,22,25)/b20-11-.
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide?
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide has a molecular weight of 467.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide is sourced from PubChem (CID 92513101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).