N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide

C22H19NO3S — CID 2904025

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3S/c24-22(23-14-16-11-12-19-20(13-16)26-15-25-19)21(17-7-3-1-4-8-17)27-18-9-5-2-6-10-18/h1-13,21H,14-15H2,(H,23,24)
InChIKeyYTKNXPZKJBWGIC-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.57
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2904025) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2904025
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19NO3S/c24-22(23-14-16-11-12-19-20(13-16)26-15-25-19)21(17-7-3-1-4-8-17)27-18-9-5-2-6-10-18/h1-13,21H,14-15H2,(H,23,24)
InChIKeyYTKNXPZKJBWGIC-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylacetamide
CID 19630315
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate
CID 7843576
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetamide
CID 86977722
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 4156085
1-(1,3-benzodioxol-5-yl)-3-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiourea
CID 2957968
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 119904237
N-[(3-methoxyphenyl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43001675
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 8640135
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7811277
(2R)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 78973204

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2904025) is N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(NCc1ccc2c(c1)OCO2)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is YTKNXPZKJBWGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c24-22(23-14-16-11-12-19-20(13-16)26-15-25-19)21(17-7-3-1-4-8-17)27-18-9-5-2-6-10-18/h1-13,21H,14-15H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 377.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2904025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).