N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide

C20H24N2OS — CID 71933436

IUPACN-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1)N1CCSCC1
InChIInChI=1S/C20H24N2OS/c1-16(22-11-13-24-14-12-22)20(23)21-19-10-6-5-9-18(19)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeySLINNQOKYAHNNU-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.65
Rot. Bonds5

About N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide

N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide (PubChem CID 71933436) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
PubChem CID71933436
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1)N1CCSCC1
InChIInChI=1S/C20H24N2OS/c1-16(22-11-13-24-14-12-22)20(23)21-19-10-6-5-9-18(19)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeySLINNQOKYAHNNU-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
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1-(2-benzylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide (CID 71933436) is N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide is CC(C(=O)Nc1ccccc1Cc1ccccc1)N1CCSCC1.
What is the InChIKey of N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide?
The InChIKey is SLINNQOKYAHNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-16(22-11-13-24-14-12-22)20(23)21-19-10-6-5-9-18(19)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,21,23).
What are the key properties of N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide?
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide has a molecular weight of 340.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 71933436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).