4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide

C19H25NO2S2 — CID 134832138

IUPAC4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(C)C)[C@H](C)Sc2ccccc2)cc1
InChIInChI=1S/C19H25NO2S2/c1-14(2)19(16(4)23-17-8-6-5-7-9-17)20-24(21,22)18-12-10-15(3)11-13-18/h5-14,16,19-20H,1-4H3/t16-,19+/m0/s1
InChIKeyYQFOSVWIUKMIJE-QFBILLFUSA-N
MW363.55 g/mol
LogP4.48
Rot. Bonds7

About 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide

4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide (PubChem CID 134832138) has the molecular formula C19H25NO2S2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide
PubChem CID134832138
Molecular FormulaC19H25NO2S2
Molecular Weight363.55 g/mol
Exact Mass363.13
IUPAC Name4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(C)C)[C@H](C)Sc2ccccc2)cc1
InChIInChI=1S/C19H25NO2S2/c1-14(2)19(16(4)23-17-8-6-5-7-9-17)20-24(21,22)18-12-10-15(3)11-13-18/h5-14,16,19-20H,1-4H3/t16-,19+/m0/s1
InChIKeyYQFOSVWIUKMIJE-QFBILLFUSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2R,3S)-1,1,1-trifluoro-3-phenylsulfanylbutan-2-yl]benzenesulfonamide
CID 135029593
4-methyl-N-[(3R,4R)-2-methyl-4-phenylselanylpentan-3-yl]benzenesulfonamide
CID 134831566
4-methyl-N-(1-phenyl-4-phenylsulfanylpentyl)benzenesulfonamide
CID 152503716
4-methyl-N-[(1R,2S)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
CID 101091316
4-methyl-N-[(1S,2R)-1-phenyl-2-phenylsulfanyl-2-trimethylsilylethyl]benzenesulfonamide
CID 102373680
N-[(1R,2R)-2-(benzylamino)-3-methyl-1-phenylbutyl]-4-methylbenzenesulfonamide
CID 54762323
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
4-[(4-methylphenyl)sulfonylamino]-2-phenylsulfanylbutanoic acid
CID 67586105
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide (CID 134832138) is 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C(C)C)[C@H](C)Sc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide?
The InChIKey is YQFOSVWIUKMIJE-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25NO2S2/c1-14(2)19(16(4)23-17-8-6-5-7-9-17)20-24(21,22)18-12-10-15(3)11-13-18/h5-14,16,19-20H,1-4H3/t16-,19+/m0/s1.
What are the key properties of 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide?
4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide has a molecular weight of 363.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R,4S)-2-methyl-4-phenylsulfanylpentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 134832138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).