N-(4-bromophenyl)-2-phenylsulfanylacetamide

C14H12BrNOS — CID 532045

IUPACN-(4-bromophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyYQSKUBFOMQDONL-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.18
Rot. Bonds4

About N-(4-bromophenyl)-2-phenylsulfanylacetamide

N-(4-bromophenyl)-2-phenylsulfanylacetamide (PubChem CID 532045) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-phenylsulfanylacetamide
PubChem CID532045
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC NameN-(4-bromophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17)
InChIKeyYQSKUBFOMQDONL-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 365383
N-(4-bromophenyl)thiophene-2-carboxamide
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N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
N-(2-bromophenyl)-2-(cyclohexylthio)acetamide
CID 2914068
7-Bromo-2H-(1,4)-benzothiazin-3(4h)-one
CID 689065
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-phenylsulfanylpropanamide
CID 1252378
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-phenylsulfanylacetamide (CID 532045) is N-(4-bromophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-phenylsulfanylacetamide?
The InChIKey is YQSKUBFOMQDONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H,16,17).
What are the key properties of N-(4-bromophenyl)-2-phenylsulfanylacetamide?
N-(4-bromophenyl)-2-phenylsulfanylacetamide has a molecular weight of 322.23 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 532045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).