N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide

C15H15BrN2O2S — CID 62805167

IUPACN-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide
SMILESCc1c(N)cccc1NC(=O)CS(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c1-10-13(17)6-3-7-14(10)18-15(19)9-21(20)12-5-2-4-11(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyZTEWLANYRGEIKV-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.09
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide

N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide (PubChem CID 62805167) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide
PubChem CID62805167
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide
SMILESCc1c(N)cccc1NC(=O)CS(=O)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O2S/c1-10-13(17)6-3-7-14(10)18-15(19)9-21(20)12-5-2-4-11(16)8-12/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyZTEWLANYRGEIKV-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

N-(3-amino-2-methylphenyl)-3-tert-butylsulfinylpropanamide
CID 61304225
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfinyl)acetamide
CID 107753806
2-(3-amino-2-methylphenyl)sulfinyl-N-(4-bromophenyl)acetamide
CID 81191944
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(3-amino-2-methylphenyl)-4-tert-butylsulfinylbutanamide
CID 61304602
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide (CID 62805167) is N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide is Cc1c(N)cccc1NC(=O)CS(=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide?
The InChIKey is ZTEWLANYRGEIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-10-13(17)6-3-7-14(10)18-15(19)9-21(20)12-5-2-4-11(16)8-12/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide?
N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide 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 N-(3-amino-2-methylphenyl)-2-(3-bromophenyl)sulfinylacetamide is sourced from PubChem (CID 62805167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).