(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide

C24H27NO2S2 — CID 11247321

IUPAC(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
SMILESCc1ccc([S@@](=O)N[C@@](C)(c2ccccc2)[C@H](C)[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27NO2S2/c1-18-10-14-22(15-11-18)28(26)20(3)24(4,21-8-6-5-7-9-21)25-29(27)23-16-12-19(2)13-17-23/h5-17,20,25H,1-4H3/t20-,24+,28+,29+/m0/s1
InChIKeyKZIFPRZULJVGCT-BEOUTRDOSA-N
MW425.62 g/mol
LogP5.03
Rot. Bonds7

About (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide

(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide (PubChem CID 11247321) has the molecular formula C24H27NO2S2 and a molecular weight of 425.62 g/mol. Its IUPAC name is (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
PubChem CID11247321
Molecular FormulaC24H27NO2S2
Molecular Weight425.62 g/mol
Exact Mass425.15
IUPAC Name(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
SMILESCc1ccc([S@@](=O)N[C@@](C)(c2ccccc2)[C@H](C)[S@@](=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H27NO2S2/c1-18-10-14-22(15-11-18)28(26)20(3)24(4,21-8-6-5-7-9-21)25-29(27)23-16-12-19(2)13-17-23/h5-17,20,25H,1-4H3/t20-,24+,28+,29+/m0/s1
InChIKeyKZIFPRZULJVGCT-BEOUTRDOSA-N
XLogP5.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide with MolForge

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Related Compounds

(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide
CID 25193676
(2R,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-ol
CID 11380685
1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
CID 10825129
N-[(2S)-1-cyano-1,1-diphenylpropan-2-yl]-4-methylbenzenesulfinamide
CID 69078981
(R)-N-[(1S,2S)-2-(4-methoxyphenyl)-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-1-methylsulfanylpropan-2-yl]-4-methylbenzenesulfinamide
CID 25193571
2-methyl-N-[(2R)-3-methyl-2-phenylbutan-2-yl]propane-2-sulfinamide
CID 15370362
(2S,3S)-2-hydroxy-2-methyl-3-[(R)-(4-methylphenyl)sulfinyl]butanenitrile
CID 10037170
(2R,3S)-2-[(benzylamino)methyl]-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylbutan-2-ol
CID 102439597
(2R)-2-hydroxy-3,3-dimethyl-2-[(1R)-1-[(R)-(4-methylphenyl)sulfinyl]ethyl]butanenitrile
CID 10265631
1-[(1S)-1-chloroethyl]sulfinyl-4-methylbenzene
CID 102275551
N-ethyl-2-(4-methylphenyl)sulfinyl-1-phenylpropan-1-amine
CID 64658471
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
CID 10923906

Frequently Asked Questions

What is the IUPAC name of (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide?
The IUPAC name of (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide (CID 11247321) is (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide.
What is the SMILES notation for (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide?
The canonical SMILES for (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide is Cc1ccc([S@@](=O)N[C@@](C)(c2ccccc2)[C@H](C)[S@@](=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide?
The InChIKey is KZIFPRZULJVGCT-BEOUTRDOSA-N. The full InChI is InChI=1S/C24H27NO2S2/c1-18-10-14-22(15-11-18)28(26)20(3)24(4,21-8-6-5-7-9-21)25-29(27)23-16-12-19(2)13-17-23/h5-17,20,25H,1-4H3/t20-,24+,28+,29+/m0/s1.
What are the key properties of (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide?
(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide has a molecular weight of 425.62 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide is sourced from PubChem (CID 11247321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).