N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide

C16H15BrFNO2S — CID 43035639

IUPACN-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrFNO2S/c1-21-12-3-5-13(6-4-12)22-9-8-16(20)19-15-7-2-11(17)10-14(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeySJUJSJSQAYISLA-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.72
Rot. Bonds6

About N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 43035639) has the molecular formula C16H15BrFNO2S and a molecular weight of 384.27 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID43035639
Molecular FormulaC16H15BrFNO2S
Molecular Weight384.27 g/mol
Exact Mass383.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C16H15BrFNO2S/c1-21-12-3-5-13(6-4-12)22-9-8-16(20)19-15-7-2-11(17)10-14(15)18/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeySJUJSJSQAYISLA-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
4-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]sulfanyl-3-(4-methoxyphenyl)oxadiazol-3-ium-5-olate
CID 53293475
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(4-bromo-2-fluorophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807316
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-bromo-2-fluorophenyl)propanamide
CID 53267572
N-(3-bromophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086503
N-(2-methoxy-4-nitrophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 18586327
2-[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetic acid
CID 119231456
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770037
4-(4-acetylphenoxy)-N-(4-bromo-2-fluorophenyl)butanamide
CID 2105244

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 43035639) is N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is SJUJSJSQAYISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2S/c1-21-12-3-5-13(6-4-12)22-9-8-16(20)19-15-7-2-11(17)10-14(15)18/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 384.27 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 43035639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).