2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide

C15H15BrN2O2S — CID 82839190

IUPAC2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-2-5-12(6-3-10)18-15(19)9-21(20)14-7-4-11(17)8-13(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeySEWYMOSYVIDABU-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide

2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide (PubChem CID 82839190) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
PubChem CID82839190
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)c2ccc(N)cc2Br)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-10-2-5-12(6-3-10)18-15(19)9-21(20)14-7-4-11(17)8-13(14)16/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeySEWYMOSYVIDABU-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.09
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-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-methylphenyl)acetamide
CID 81184637
2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 82833615
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
2-(4-amino-2-fluorophenyl)sulfinyl-N-phenylacetamide
CID 81192912
2-(4-amino-2-fluorophenyl)sulfinyl-N-(3-bromophenyl)acetamide
CID 81184638
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
4-(4-amino-2-bromophenyl)sulfinyl-N-methylbutanamide
CID 82834836
2-(4-amino-3-fluorophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 81191461
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide (CID 82839190) is 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)c2ccc(N)cc2Br)cc1.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
The InChIKey is SEWYMOSYVIDABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-2-5-12(6-3-10)18-15(19)9-21(20)14-7-4-11(17)8-13(14)16/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide?
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide has a molecular weight of 367.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 82839190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).