2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide

C23H22N2O3S — CID 24649946

IUPAC2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O3S/c24-21(26)15-28-20-13-7-12-19(14-20)25-22(27)16-29-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,23H,15-16H2,(H2,24,26)(H,25,27)
InChIKeyKRXKWOGGPKGVBO-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.01
Rot. Bonds9

About 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide

2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide (PubChem CID 24649946) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide
PubChem CID24649946
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O3S/c24-21(26)15-28-20-13-7-12-19(14-20)25-22(27)16-29-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,23H,15-16H2,(H2,24,26)(H,25,27)
InChIKeyKRXKWOGGPKGVBO-UHFFFAOYSA-N
XLogP4.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide
CID 55751872
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(2-amino-2-oxoethyl)sulfanylphenyl]-2-phenoxyacetamide
CID 19318404
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyphenyl)acetamide
CID 18155390
2-[3-[2-oxo-2-(3-phenoxyanilino)ethoxy]phenyl]acetamide
CID 48934810
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(azetidin-3-yl)acetamide
CID 64618375
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-methylbutanamide;hydrochloride
CID 119277909
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
(2S)-2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]hexanamide
CID 103831187

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide (CID 24649946) is 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide is NC(=O)COc1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide?
The InChIKey is KRXKWOGGPKGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c24-21(26)15-28-20-13-7-12-19(14-20)25-22(27)16-29-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,23H,15-16H2,(H2,24,26)(H,25,27).
What are the key properties of 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide?
2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide is sourced from PubChem (CID 24649946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).