N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide

C17H19NOS — CID 94013315

IUPACN-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
SMILESCC[C@H](NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-16(14-9-5-3-6-10-14)18-17(19)13-20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyIEFHAHRTKKNZNZ-INIZCTEOSA-N
MW285.41 g/mol
LogP4.05
Rot. Bonds6

About N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide

N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide (PubChem CID 94013315) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
PubChem CID94013315
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
SMILESCC[C@H](NC(=O)CSc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-2-16(14-9-5-3-6-10-14)18-17(19)13-20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)/t16-/m0/s1
InChIKeyIEFHAHRTKKNZNZ-INIZCTEOSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(1-phenylpropyl)acetamide
CID 43905510
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
N-(1-aminobutan-2-yl)-2-phenylsulfanylacetamide
CID 65193463
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-benzylsulfanyl-N-[(1S)-1-phenylpropyl]acetamide
CID 30381565
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-(4-bromophenyl)sulfanyl-N-(1-phenylbutyl)acetamide
CID 18290915
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
N-[(2R)-3-methylbutan-2-yl]-2-phenylsulfanylacetamide
CID 94223671
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide (CID 94013315) is N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide is CC[C@H](NC(=O)CSc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide?
The InChIKey is IEFHAHRTKKNZNZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NOS/c1-2-16(14-9-5-3-6-10-14)18-17(19)13-20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3,(H,18,19)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide?
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 94013315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).