(2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide

C22H27NOS — CID 40634752

IUPAC(2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H27NOS/c1-2-23(19-14-8-4-9-15-19)22(24)21(18-12-6-3-7-13-18)25-20-16-10-5-11-17-20/h3,5-7,10-13,16-17,19,21H,2,4,8-9,14-15H2,1H3/t21-/m0/s1
InChIKeyVFMVXEYYRIQXSI-NRFANRHFSA-N
MW353.53 g/mol
LogP5.70
Rot. Bonds6

About (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide

(2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 40634752) has the molecular formula C22H27NOS and a molecular weight of 353.53 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide
PubChem CID40634752
Molecular FormulaC22H27NOS
Molecular Weight353.53 g/mol
Exact Mass353.18
IUPAC Name(2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide
SMILESCCN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H27NOS/c1-2-23(19-14-8-4-9-15-19)22(24)21(18-12-6-3-7-13-18)25-20-16-10-5-11-17-20/h3,5-7,10-13,16-17,19,21H,2,4,8-9,14-15H2,1H3/t21-/m0/s1
InChIKeyVFMVXEYYRIQXSI-NRFANRHFSA-N
XLogP5.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone
CID 2886349
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
CID 4783727
N-butyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2886275
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-methyl-2-phenyl-2-phenylsulfanylacetamide
CID 2889858
N-(2-cyclohexylsulfanylethyl)-2-phenylacetamide
CID 2175268
3-phenyl-N-[2-(phenylthio)ethyl]propanamide
CID 2205200
2,6-Dimethyl-4-[phenyl(phenylthio)acetyl]morpholine
CID 2904745
N-ethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 4246167
N-butan-2-yl-2-phenyl-2-phenylsulfanylacetamide
CID 4518969
6-(4-methylphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 10450498

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide (CID 40634752) is (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide is CCN(C(=O)[C@@H](Sc1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is VFMVXEYYRIQXSI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27NOS/c1-2-23(19-14-8-4-9-15-19)22(24)21(18-12-6-3-7-13-18)25-20-16-10-5-11-17-20/h3,5-7,10-13,16-17,19,21H,2,4,8-9,14-15H2,1H3/t21-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide?
(2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 353.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-ethyl-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 40634752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).