N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide

C25H27NO2S — CID 100728980

IUPACN-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCC(C)(Cc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C25H27NO2S/c1-25(2,19-20-9-5-3-6-10-20)26-24(27)21-13-15-22(16-14-21)28-17-18-29-23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,26,27)
InChIKeyDSFGQPXHNVTBAU-UHFFFAOYSA-N
MW405.56 g/mol
LogP5.61
Rot. Bonds9

About N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide

N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide (PubChem CID 100728980) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
PubChem CID100728980
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide
SMILESCC(C)(Cc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1
InChIInChI=1S/C25H27NO2S/c1-25(2,19-20-9-5-3-6-10-20)26-24(27)21-13-15-22(16-14-21)28-17-18-29-23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,26,27)
InChIKeyDSFGQPXHNVTBAU-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.61
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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Related Compounds

N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-phenyl-4-(2-phenylsulfanylethoxy)benzamide
CID 46762944
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-cycloheptyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92677205
N-(4-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 38003479
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
4-(2-phenylsulfanylethoxy)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53283929
N-[(1S)-3-methyl-1-phenylbutyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 30387379
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(3-methylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28571355
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide (CID 100728980) is N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide is CC(C)(Cc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide?
The InChIKey is DSFGQPXHNVTBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-25(2,19-20-9-5-3-6-10-20)26-24(27)21-13-15-22(16-14-21)28-17-18-29-23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,26,27).
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide?
N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide has a molecular weight of 405.56 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-4-(2-phenylsulfanylethoxy)benzamide is sourced from PubChem (CID 100728980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).