4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide

C19H23NO2S — CID 66679655

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C19H23NO2S/c1-15(16-7-4-3-5-8-16)20(2)19(22)9-6-14-23-18-12-10-17(21)11-13-18/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3/t15-/m0/s1
InChIKeyLWTURDZDSPJLGI-HNNXBMFYSA-N
MW329.47 g/mol
LogP4.48
Rot. Bonds7

About 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide

4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 66679655) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID66679655
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@@H](c1ccccc1)N(C)C(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C19H23NO2S/c1-15(16-7-4-3-5-8-16)20(2)19(22)9-6-14-23-18-12-10-17(21)11-13-18/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3/t15-/m0/s1
InChIKeyLWTURDZDSPJLGI-HNNXBMFYSA-N
XLogP4.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 66679655) is 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide is C[C@@H](c1ccccc1)N(C)C(=O)CCCSc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is LWTURDZDSPJLGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15(16-7-4-3-5-8-16)20(2)19(22)9-6-14-23-18-12-10-17(21)11-13-18/h3-5,7-8,10-13,15,21H,6,9,14H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide?
4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 66679655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).