(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide

C22H21NO3S — CID 92676279

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-16(27-21-14-12-18(25-2)13-15-21)22(24)23-17-8-10-20(11-9-17)26-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyCTVYNAFYXHQYMD-INIZCTEOSA-N
MW379.48 g/mol
LogP5.61
Rot. Bonds7

About (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide

(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide (PubChem CID 92676279) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
PubChem CID92676279
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO3S/c1-16(27-21-14-12-18(25-2)13-15-21)22(24)23-17-8-10-20(11-9-17)26-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyCTVYNAFYXHQYMD-INIZCTEOSA-N
XLogP5.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-[(Z)-1-(2,5-dimethoxyphenyl)-3-oxo-3-[4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 21385858

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide (CID 92676279) is (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide is COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
The InChIKey is CTVYNAFYXHQYMD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-16(27-21-14-12-18(25-2)13-15-21)22(24)23-17-8-10-20(11-9-17)26-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide?
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide has a molecular weight of 379.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 92676279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).