4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide

C19H23NO2S — CID 46234169

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C19H23NO2S/c1-15-6-3-4-7-16(15)14-20(2)19(22)8-5-13-23-18-11-9-17(21)10-12-18/h3-4,6-7,9-12,21H,5,8,13-14H2,1-2H3
InChIKeyZZDVYCQNNWCMSR-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.23
Rot. Bonds7

About 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide

4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 46234169) 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-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID46234169
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1
InChIInChI=1S/C19H23NO2S/c1-15-6-3-4-7-16(15)14-20(2)19(22)8-5-13-23-18-11-9-17(21)10-12-18/h3-4,6-7,9-12,21H,5,8,13-14H2,1-2H3
InChIKeyZZDVYCQNNWCMSR-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 46234169) is 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is ZZDVYCQNNWCMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-6-3-4-7-16(15)14-20(2)19(22)8-5-13-23-18-11-9-17(21)10-12-18/h3-4,6-7,9-12,21H,5,8,13-14H2,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide?
4-(4-hydroxyphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.23, 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-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 46234169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).