2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide

C26H27NO3S — CID 53348909

IUPAC2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide
SMILESC[C@@H]1C[C@@H](C)OC(C(Sc2ccccc2)C(=O)N(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H27NO3S/c1-19-18-20(2)30-26(29-19)24(31-23-16-10-5-11-17-23)25(28)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,19-20,24,26H,18H2,1-2H3/t19-,20-,24?/m1/s1
InChIKeySTGSPQQDEBEEQX-GNPFLCDCSA-N
MW433.57 g/mol
LogP6.05
Rot. Bonds6

About 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide

2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide (PubChem CID 53348909) has the molecular formula C26H27NO3S and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide
PubChem CID53348909
Molecular FormulaC26H27NO3S
Molecular Weight433.57 g/mol
Exact Mass433.17
IUPAC Name2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide
SMILESC[C@@H]1C[C@@H](C)OC(C(Sc2ccccc2)C(=O)N(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C26H27NO3S/c1-19-18-20(2)30-26(29-19)24(31-23-16-10-5-11-17-23)25(28)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,19-20,24,26H,18H2,1-2H3/t19-,20-,24?/m1/s1
InChIKeySTGSPQQDEBEEQX-GNPFLCDCSA-N
XLogP6.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.57
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4R,5R)-4,5-dimethyl-1,3-dioxolan-2-yl]-2-phenylsulfanyl-N-prop-2-enylacetamide
CID 53348913
2-methylsulfanyl-2-phenylsulfanylacetyl chloride
CID 134892922
(2R)-N-methyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821073
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
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2-(4-acetamidophenyl)sulfanyl-N,N-diphenylbutanamide
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(2R,3S,4R,6R)-6-methyl-2-phenylsulfanyloxane-3,4-diol
CID 97302359
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
2,5-dimethyl-1-N,1-N,4-N,4-N-tetraphenylpiperazine-1,4-dicarboxamide
CID 18965184
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
(E)-4-oxo-4-[4-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylanilino]but-2-enoic acid
CID 22784604
N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide
CID 47111890

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide?
The IUPAC name of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide (CID 53348909) is 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide?
The canonical SMILES for 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide is C[C@@H]1C[C@@H](C)OC(C(Sc2ccccc2)C(=O)N(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide?
The InChIKey is STGSPQQDEBEEQX-GNPFLCDCSA-N. The full InChI is InChI=1S/C26H27NO3S/c1-19-18-20(2)30-26(29-19)24(31-23-16-10-5-11-17-23)25(28)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,19-20,24,26H,18H2,1-2H3/t19-,20-,24?/m1/s1.
What are the key properties of 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide?
2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide has a molecular weight of 433.57 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,6R)-4,6-dimethyl-1,3-dioxan-2-yl]-N,N-diphenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 53348909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).