N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide

C15H14BrNOS — CID 965598

IUPACN-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cc(Br)ccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H14BrNOS/c1-11-9-12(16)7-8-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyWXRDLTPJNNJBQM-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.49
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide

N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide (PubChem CID 965598) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide
PubChem CID965598
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide
SMILESCc1cc(Br)ccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H14BrNOS/c1-11-9-12(16)7-8-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyWXRDLTPJNNJBQM-UHFFFAOYSA-N
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Bromo-2-methylphenyl)acetamide
CID 222277
N-(4-bromo-2-ethylphenyl)acetamide
CID 2735223
4'-Bromo-2'-phenylacetanilide
CID 242400
N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-(4-bromophenyl)-1-[(4-methylphenyl)sulfonyl]cyclopropanecarboxamide
CID 16194204
N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide
CID 1252378
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359
N-(4-bromo-3-methylphenyl)-3-(phenylthio)propanamide
CID 1338487
2-[(4-bromobenzyl)thio]-N-[2-(methylthio)phenyl]acetamide
CID 2301837

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide (CID 965598) is N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide is Cc1cc(Br)ccc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is WXRDLTPJNNJBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-11-9-12(16)7-8-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide?
N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 336.25 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 965598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).