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

C22H21NO2S2 — CID 94011837

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S2/c1-16(26-19-14-12-17(25-2)13-15-19)22(24)23-20-10-6-7-11-21(20)27-18-8-4-3-5-9-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyMPGUFBPYOANRRP-INIZCTEOSA-N
MW395.55 g/mol
LogP5.97
Rot. Bonds7

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

(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 94011837) has the molecular formula C22H21NO2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID94011837
Molecular FormulaC22H21NO2S2
Molecular Weight395.55 g/mol
Exact Mass395.10
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
SMILESCOc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S2/c1-16(26-19-14-12-17(25-2)13-15-19)22(24)23-20-10-6-7-11-21(20)27-18-8-4-3-5-9-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyMPGUFBPYOANRRP-INIZCTEOSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 43876035
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46772610
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907596
2-(4-methoxyphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 55870545
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971654
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 55873514
(2R)-2-(4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
CID 2212233
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide (CID 94011837) is (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide is COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is MPGUFBPYOANRRP-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21NO2S2/c1-16(26-19-14-12-17(25-2)13-15-19)22(24)23-20-10-6-7-11-21(20)27-18-8-4-3-5-9-18/h3-16H,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide?
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 395.55 g/mol, XLogP of 5.97, 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-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 94011837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).