2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C19H23NOS — CID 100733886

IUPAC2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)CSCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-19(2,13-16-9-5-3-6-10-16)20-18(21)15-22-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,20,21)
InChIKeyUNRAWUXZBAZJJY-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.06
Rot. Bonds7

About 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 100733886) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID100733886
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)CSCc1ccccc1
InChIInChI=1S/C19H23NOS/c1-19(2,13-16-9-5-3-6-10-16)20-18(21)15-22-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,20,21)
InChIKeyUNRAWUXZBAZJJY-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100564139
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
4-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 62043499
2-benzylsulfanyl-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65112666
N-(1-amino-2-methylpropan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 119523361
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 61261362
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 100733886) is 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide is CC(C)(Cc1ccccc1)NC(=O)CSCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is UNRAWUXZBAZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-19(2,13-16-9-5-3-6-10-16)20-18(21)15-22-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3,(H,20,21).
What are the key properties of 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 313.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 100733886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).