2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide

C15H14BrClN2OS — CID 79524833

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc(Br)ccc1N
InChIInChI=1S/C15H14BrClN2OS/c1-9-2-4-11(17)7-13(9)19-15(20)8-21-14-6-10(16)3-5-12(14)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOYCJFUYYEVAGNL-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.72
Rot. Bonds4

About 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 79524833) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID79524833
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc(Br)ccc1N
InChIInChI=1S/C15H14BrClN2OS/c1-9-2-4-11(17)7-13(9)19-15(20)8-21-14-6-10(16)3-5-12(14)18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyOYCJFUYYEVAGNL-UHFFFAOYSA-N
XLogP4.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
2-(5-bromo-2-methylphenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 1180161
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
2-(2-amino-4-bromophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 43305969
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 79519414
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
N-(2-amino-5-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 107779905
4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 26894141

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide (CID 79524833) is 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CSc1cc(Br)ccc1N.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is OYCJFUYYEVAGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2OS/c1-9-2-4-11(17)7-13(9)19-15(20)8-21-14-6-10(16)3-5-12(14)18/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 385.71 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 79524833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).