N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide

C23H21NO4S — CID 19631701

IUPACN-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCOc1ccccc1C(=O)CSc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C23H21NO4S/c1-27-22-10-6-5-9-20(22)21(25)16-29-19-13-11-17(12-14-19)24-23(26)15-28-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyFFMZFYJJKGJXND-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.69
Rot. Bonds9

About N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide

N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 19631701) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID19631701
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESCOc1ccccc1C(=O)CSc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C23H21NO4S/c1-27-22-10-6-5-9-20(22)21(25)16-29-19-13-11-17(12-14-19)24-23(26)15-28-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyFFMZFYJJKGJXND-UHFFFAOYSA-N
XLogP4.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22780728
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353
N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 23096407
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
2-hydroxy-5-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid
CID 22782785
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19630696
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[(Z)-3-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylanilino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 22193502

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide (CID 19631701) is N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is COc1ccccc1C(=O)CSc1ccc(NC(=O)COc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is FFMZFYJJKGJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-27-22-10-6-5-9-20(22)21(25)16-29-19-13-11-17(12-14-19)24-23(26)15-28-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 407.49 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 19631701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).