(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide

C21H19NO2S — CID 875522

IUPAC(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c1-16(25-20-10-6-3-7-11-20)21(23)22-17-12-14-19(15-13-17)24-18-8-4-2-5-9-18/h2-16H,1H3,(H,22,23)/t16-/m1/s1
InChIKeyBEFIDONMBKBBEC-MRXNPFEDSA-N
MW349.46 g/mol
LogP5.60
Rot. Bonds6

About (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide

(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide (PubChem CID 875522) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
PubChem CID875522
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
SMILESC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19NO2S/c1-16(25-20-10-6-3-7-11-20)21(23)22-17-12-14-19(15-13-17)24-18-8-4-2-5-9-18/h2-16H,1H3,(H,22,23)/t16-/m1/s1
InChIKeyBEFIDONMBKBBEC-MRXNPFEDSA-N
XLogP5.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-[3-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 18901270
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
N-(4-cyclopentyloxyphenyl)-2-phenylsulfanylpropanamide
CID 132652304
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide (CID 875522) is (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide is C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is BEFIDONMBKBBEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-16(25-20-10-6-3-7-11-20)21(23)22-17-12-14-19(15-13-17)24-18-8-4-2-5-9-18/h2-16H,1H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide?
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 875522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).