3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide

C30H47NOS — CID 130246328

IUPAC3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
SMILESCCCCCCCCCCS(C)(C)CCC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C30H47NOS/c1-5-6-7-8-9-10-11-15-23-33(3,4)24-22-30(32)31-29(28-16-13-12-14-17-28)25-27-20-18-26(2)19-21-27/h12-14,16-21,29H,5-11,15,22-25H2,1-4H3,(H,31,32)
InChIKeyDSZHRRKOBTXKFO-UHFFFAOYSA-N
MW469.78 g/mol
LogP7.99
Rot. Bonds16

About 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide

3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide (PubChem CID 130246328) has the molecular formula C30H47NOS and a molecular weight of 469.78 g/mol. Its IUPAC name is 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
PubChem CID130246328
Molecular FormulaC30H47NOS
Molecular Weight469.78 g/mol
Exact Mass469.34
IUPAC Name3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
SMILESCCCCCCCCCCS(C)(C)CCC(=O)NC(Cc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C30H47NOS/c1-5-6-7-8-9-10-11-15-23-33(3,4)24-22-30(32)31-29(28-16-13-12-14-17-28)25-27-20-18-26(2)19-21-27/h12-14,16-21,29H,5-11,15,22-25H2,1-4H3,(H,31,32)
InChIKeyDSZHRRKOBTXKFO-UHFFFAOYSA-N
XLogP7.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.78
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(9Z,12Z)-N-[(1S)-2-(4-methylphenyl)-1-phenylethyl]octadeca-9,12-dienamide
CID 6436044
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[2-(4-methylphenyl)-1-phenylethyl]-2-(2-octoxyphenyl)acetamide
CID 67913722
3-(1-butyl-4-methylsilinan-1-yl)-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide
CID 54416603
N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687
3-[dimethyl(octyl)silyl]-N-[2-(4-methylphenyl)-1-phenylethyl]prop-2-enamide
CID 54381001
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
[(2R)-2-(dodecanoylamino)-2-phenylethyl]carbamic acid
CID 67913525
N-[2-(4-methylphenyl)-1-phenylethyl]octadec-9-en-2-ynamide
CID 54531392
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852

Frequently Asked Questions

What is the IUPAC name of 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
The IUPAC name of 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide (CID 130246328) is 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
The canonical SMILES for 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide is CCCCCCCCCCS(C)(C)CCC(=O)NC(Cc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
The InChIKey is DSZHRRKOBTXKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NOS/c1-5-6-7-8-9-10-11-15-23-33(3,4)24-22-30(32)31-29(28-16-13-12-14-17-28)25-27-20-18-26(2)19-21-27/h12-14,16-21,29H,5-11,15,22-25H2,1-4H3,(H,31,32).
What are the key properties of 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide?
3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide has a molecular weight of 469.78 g/mol, XLogP of 7.99, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[decyl(dimethyl)-λ4-sulfanyl]-N-[2-(4-methylphenyl)-1-phenylethyl]propanamide is sourced from PubChem (CID 130246328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).