N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide

C15H15BrN2OS — CID 43377361

IUPACN-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1N
InChIInChI=1S/C15H15BrN2OS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNKZJOAVMYBGASJ-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.07
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide

N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide (PubChem CID 43377361) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
PubChem CID43377361
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC NameN-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1N
InChIInChI=1S/C15H15BrN2OS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyNKZJOAVMYBGASJ-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.07
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-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
2-(4-amino-3-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79147675
N-[3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55707973
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-(4-bromophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 1278156
N-(3-amino-4-methylphenyl)-2-[(4-bromophenyl)methoxy]acetamide
CID 82803761
2-(4-amino-3-chlorophenyl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 79130220
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-(4-bromophenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 2227981

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide (CID 43377361) is N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
The InChIKey is NKZJOAVMYBGASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-2-5-12(8-14(10)17)18-15(19)9-20-13-6-3-11(16)4-7-13/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide?
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide has a molecular weight of 351.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 43377361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).