N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide

C23H22FNO2S — CID 60506189

IUPACN-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FNO2S/c1-16(28-21-14-12-20(27-2)13-15-21)23(26)25-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-16,22H,1-2H3,(H,25,26)
InChIKeyZYCSRQUBIMQZPB-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.22
Rot. Bonds7

About N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide

N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 60506189) has the molecular formula C23H22FNO2S and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID60506189
Molecular FormulaC23H22FNO2S
Molecular Weight395.50 g/mol
Exact Mass395.14
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H22FNO2S/c1-16(28-21-14-12-20(27-2)13-15-21)23(26)25-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-16,22H,1-2H3,(H,25,26)
InChIKeyZYCSRQUBIMQZPB-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55525316
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2-(4-methoxyphenyl)sulfanyl-N-(1-phenylbutyl)propanamide
CID 60518630
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-phenylsulfanylpropanamide
CID 94027318
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94013079
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7402963

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide (CID 60506189) is N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)NC(c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is ZYCSRQUBIMQZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2S/c1-16(28-21-14-12-20(27-2)13-15-21)23(26)25-22(17-6-4-3-5-7-17)18-8-10-19(24)11-9-18/h3-16,22H,1-2H3,(H,25,26).
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide?
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 395.50 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 60506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).