2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide

C15H14BrClN2OS — CID 79130220

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(N)c(Cl)c2)ccc1Br
InChIInChI=1S/C15H14BrClN2OS/c1-9-6-10(2-4-12(9)16)19-15(20)8-21-11-3-5-14(18)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyYKBQLVVIHSKIBK-UHFFFAOYSA-N
MW385.71 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 79130220) has the molecular formula C15H14BrClN2OS and a molecular weight of 385.71 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
PubChem CID79130220
Molecular FormulaC15H14BrClN2OS
Molecular Weight385.71 g/mol
Exact Mass383.97
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(N)c(Cl)c2)ccc1Br
InChIInChI=1S/C15H14BrClN2OS/c1-9-6-10(2-4-12(9)16)19-15(20)8-21-11-3-5-14(18)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyYKBQLVVIHSKIBK-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-(3,4-dichlorophenyl)acetamide
CID 79128491
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
N-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498956
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128325
2-(4-amino-3-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79129071
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
2-(4-amino-3-methylphenyl)sulfanyl-N-(2-chloro-4-fluorophenyl)acetamide
CID 79127531
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide (CID 79130220) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide is Cc1cc(NC(=O)CSc2ccc(N)c(Cl)c2)ccc1Br.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is YKBQLVVIHSKIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2OS/c1-9-6-10(2-4-12(9)16)19-15(20)8-21-11-3-5-14(18)13(17)7-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-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-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 79130220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).