3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H17BrFNOS — CID 55704570

IUPAC3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCSc1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17BrFNOS/c18-15-3-1-2-4-16(15)22-12-10-17(21)20-11-9-13-5-7-14(19)8-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyYDCSJKAZSAMSKT-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.43
Rot. Bonds7

About 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 55704570) has the molecular formula C17H17BrFNOS and a molecular weight of 382.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID55704570
Molecular FormulaC17H17BrFNOS
Molecular Weight382.30 g/mol
Exact Mass381.02
IUPAC Name3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCSc1ccccc1Br)NCCc1ccc(F)cc1
InChIInChI=1S/C17H17BrFNOS/c18-15-3-1-2-4-16(15)22-12-10-17(21)20-11-9-13-5-7-14(19)8-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyYDCSJKAZSAMSKT-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 92513723
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2-(2-bromoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
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N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225
3-(2-bromophenyl)sulfanyl-N-[2-(2-cyano-3-fluoroanilino)ethyl]propanamide
CID 55972616
N-(3-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide
CID 119996572
N-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 35811388
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 55704570) is 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide is O=C(CCSc1ccccc1Br)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is YDCSJKAZSAMSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNOS/c18-15-3-1-2-4-16(15)22-12-10-17(21)20-11-9-13-5-7-14(19)8-6-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 382.30 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 55704570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).