2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide

C19H23NOS — CID 2943119

IUPAC2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H23NOS/c1-14(2)17-11-7-8-12-18(17)20-19(21)15(3)22-13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)
InChIKeyJISJNYLVWMJBEE-UHFFFAOYSA-N
MW313.47 g/mol
LogP5.07
Rot. Bonds6

About 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide

2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 2943119) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID2943119
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C19H23NOS/c1-14(2)17-11-7-8-12-18(17)20-19(21)15(3)22-13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,20,21)
InChIKeyJISJNYLVWMJBEE-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
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(2R)-2-benzylsulfanyl-N-(2-chloro-3-pyridinyl)propanamide
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(2R)-2-benzylsulfanylpropanehydrazide
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N-(5-amino-2-methylphenyl)-2-benzylsulfanylpropanamide
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(2R)-2-[(4-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)propanamide
CID 8570825
N-(5-amino-2-fluorophenyl)-2-benzylsulfanylpropanamide
CID 43098969
(2R)-2-benzylsulfanyl-N-(2-chloro-4-fluorophenyl)propanamide
CID 7377182
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
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(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide (CID 2943119) is 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide is CC(SCc1ccccc1)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is JISJNYLVWMJBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-14(2)17-11-7-8-12-18(17)20-19(21)15(3)22-13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,20,21).
What are the key properties of 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide?
2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 313.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 2943119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).