2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide

C23H22N2O3S — CID 19631549

IUPAC2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-17(23(27)25-18-8-4-2-5-9-18)29-21-14-12-19(13-15-21)24-22(26)16-28-20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyPSSMWPRRYJCHGD-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.82
Rot. Bonds8

About 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide

2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide (PubChem CID 19631549) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
PubChem CID19631549
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
SMILESCC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-17(23(27)25-18-8-4-2-5-9-18)29-21-14-12-19(13-15-21)24-22(26)16-28-20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyPSSMWPRRYJCHGD-UHFFFAOYSA-N
XLogP4.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
N-(9-ethylcarbazol-3-yl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 21167732
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 23100140
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 23101069
4-[4-(1-anilino-1-oxopropan-2-yl)sulfanylanilino]-4-oxobutanoic acid
CID 22786241
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905608
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905544
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide (CID 19631549) is 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide is CC(Sc1ccc(NC(=O)COc2ccccc2)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide?
The InChIKey is PSSMWPRRYJCHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-17(23(27)25-18-8-4-2-5-9-18)29-21-14-12-19(13-15-21)24-22(26)16-28-20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide?
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide has a molecular weight of 406.51 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 19631549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).