(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide

C25H26FNO4S — CID 92678294

IUPAC(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC
InChIInChI=1S/C25H26FNO4S/c1-17(32-22-12-13-23(29-2)24(14-22)30-3)25(28)27-15-18-6-10-21(11-7-18)31-16-19-4-8-20(26)9-5-19/h4-14,17H,15-16H2,1-3H3,(H,27,28)/t17-/m0/s1
InChIKeyUCZYKXNRMFQQSF-KRWDZBQOSA-N
MW455.55 g/mol
LogP5.22
Rot. Bonds10

About (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide (PubChem CID 92678294) has the molecular formula C25H26FNO4S and a molecular weight of 455.55 g/mol. Its IUPAC name is (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
PubChem CID92678294
Molecular FormulaC25H26FNO4S
Molecular Weight455.55 g/mol
Exact Mass455.16
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC
InChIInChI=1S/C25H26FNO4S/c1-17(32-22-12-13-23(29-2)24(14-22)30-3)25(28)27-15-18-6-10-21(11-7-18)31-16-19-4-8-20(26)9-5-19/h4-14,17H,15-16H2,1-3H3,(H,27,28)/t17-/m0/s1
InChIKeyUCZYKXNRMFQQSF-KRWDZBQOSA-N
XLogP5.22
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-ethoxyphenyl)methyl]propanamide
CID 46763937
2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46763374
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 93487637
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 30393573
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 99951185
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51546951
2-(4-chlorophenyl)sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 55669732
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 46621783
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26745796
2-(4-acetamidophenyl)sulfanyl-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 55821168
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 94020280
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 46763249

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide (CID 92678294) is (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide is COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OC.
What is the InChIKey of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
The InChIKey is UCZYKXNRMFQQSF-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26FNO4S/c1-17(32-22-12-13-23(29-2)24(14-22)30-3)25(28)27-15-18-6-10-21(11-7-18)31-16-19-4-8-20(26)9-5-19/h4-14,17H,15-16H2,1-3H3,(H,27,28)/t17-/m0/s1.
What are the key properties of (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide?
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide has a molecular weight of 455.55 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide is sourced from PubChem (CID 92678294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).