N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide

C25H27NOS — CID 28577439

IUPACN-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H27NOS/c1-19(2)17-24(21-9-5-3-6-10-21)26-25(27)22-15-13-20(14-16-22)18-28-23-11-7-4-8-12-23/h3-16,19,24H,17-18H2,1-2H3,(H,26,27)/t24-/m0/s1
InChIKeyFFQOZZIEJQHRSV-DEOSSOPVSA-N
MW389.56 g/mol
LogP6.50
Rot. Bonds8

About N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide

N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide (PubChem CID 28577439) has the molecular formula C25H27NOS and a molecular weight of 389.56 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
PubChem CID28577439
Molecular FormulaC25H27NOS
Molecular Weight389.56 g/mol
Exact Mass389.18
IUPAC NameN-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H27NOS/c1-19(2)17-24(21-9-5-3-6-10-21)26-25(27)22-15-13-20(14-16-22)18-28-23-11-7-4-8-12-23/h3-16,19,24H,17-18H2,1-2H3,(H,26,27)/t24-/m0/s1
InChIKeyFFQOZZIEJQHRSV-DEOSSOPVSA-N
XLogP6.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.56
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[(1S)-3-methyl-1-phenylbutyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 30387379
N-(1-hydroxypropan-2-yl)-4-(phenylsulfanylmethyl)benzamide
CID 78856906
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
(2R)-N-[(1S)-3-methyl-1-phenylbutyl]-2-phenylsulfanylpropanamide
CID 93487870
N-(3-methyl-1-phenylbutyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 43907434
4-(dimethylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46568364
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide (CID 28577439) is N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide is CC(C)C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is FFQOZZIEJQHRSV-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H27NOS/c1-19(2)17-24(21-9-5-3-6-10-21)26-25(27)22-15-13-20(14-16-22)18-28-23-11-7-4-8-12-23/h3-16,19,24H,17-18H2,1-2H3,(H,26,27)/t24-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide?
N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 389.56 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-phenylbutyl]-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 28577439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).