2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide

C18H20BrNOS — CID 18290915

IUPAC2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CSc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H20BrNOS/c1-2-6-17(14-7-4-3-5-8-14)20-18(21)13-22-16-11-9-15(19)10-12-16/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21)
InChIKeyAHEIQTFPORSSRI-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.20
Rot. Bonds7

About 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide (PubChem CID 18290915) has the molecular formula C18H20BrNOS and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
PubChem CID18290915
Molecular FormulaC18H20BrNOS
Molecular Weight378.34 g/mol
Exact Mass377.04
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
SMILESCCCC(NC(=O)CSc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H20BrNOS/c1-2-6-17(14-7-4-3-5-8-14)20-18(21)13-22-16-11-9-15(19)10-12-16/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21)
InChIKeyAHEIQTFPORSSRI-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-nitrophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 46813464
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[(1S)-1-phenylbutyl]acetamide
CID 7518837
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8551432
2-(4-bromophenyl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 43390377
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
2-(4-bromophenyl)sulfanyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8707512
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-phenylbutyl)acetamide
CID 51184247
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 7522794
N-(1-aminopentan-2-yl)-2-phenylsulfanylacetamide
CID 65191100
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
CID 54811171

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide (CID 18290915) is 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide is CCCC(NC(=O)CSc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide?
The InChIKey is AHEIQTFPORSSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNOS/c1-2-6-17(14-7-4-3-5-8-14)20-18(21)13-22-16-11-9-15(19)10-12-16/h3-5,7-12,17H,2,6,13H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide has a molecular weight of 378.34 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide is sourced from PubChem (CID 18290915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).