2-butylsulfanyl-N-(2-phenylphenyl)propanamide

C19H23NOS — CID 112781235

IUPAC2-butylsulfanyl-N-(2-phenylphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-4-14-22-15(2)19(21)20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3,(H,20,21)
InChIKeyVIEPHCISNUQHHC-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.21
Rot. Bonds7

About 2-butylsulfanyl-N-(2-phenylphenyl)propanamide

2-butylsulfanyl-N-(2-phenylphenyl)propanamide (PubChem CID 112781235) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-phenylphenyl)propanamide
PubChem CID112781235
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-butylsulfanyl-N-(2-phenylphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H23NOS/c1-3-4-14-22-15(2)19(21)20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3,(H,20,21)
InChIKeyVIEPHCISNUQHHC-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butylsulfanyl-N-(2-methylsulfanylphenyl)propanamide
CID 78762081
methyl 2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]sulfanylacetate
CID 29352228
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
N-[2-[[(2R)-2-butylsulfanylpropanoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 94802493
2-(3-hydroxypropylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82181810
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 7466949
1-[2-(2-butylsulfanylpropanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 119206646
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
2-[4-(2-butylsulfanylpropanoylamino)naphthalen-1-yl]oxyacetic acid
CID 119219227

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-(2-phenylphenyl)propanamide (CID 112781235) is 2-butylsulfanyl-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-phenylphenyl)propanamide is CCCCSC(C)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-butylsulfanyl-N-(2-phenylphenyl)propanamide?
The InChIKey is VIEPHCISNUQHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-3-4-14-22-15(2)19(21)20-18-13-9-8-12-17(18)16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3,(H,20,21).
What are the key properties of 2-butylsulfanyl-N-(2-phenylphenyl)propanamide?
2-butylsulfanyl-N-(2-phenylphenyl)propanamide has a molecular weight of 313.47 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 112781235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).