N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide

C22H23NO3S2 — CID 101386257

IUPACN-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)Sc2ccccc2)cc1
InChIInChI=1S/C22H23NO3S2/c1-17-8-14-21(15-9-17)28(24,25)23-16-22(27-20-6-4-3-5-7-20)18-10-12-19(26-2)13-11-18/h3-15,22-23H,16H2,1-2H3
InChIKeyVWJVPYZCIKIONN-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.82
Rot. Bonds8

About N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide

N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide (PubChem CID 101386257) has the molecular formula C22H23NO3S2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
PubChem CID101386257
Molecular FormulaC22H23NO3S2
Molecular Weight413.56 g/mol
Exact Mass413.11
IUPAC NameN-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)Sc2ccccc2)cc1
InChIInChI=1S/C22H23NO3S2/c1-17-8-14-21(15-9-17)28(24,25)23-16-22(27-20-6-4-3-5-7-20)18-10-12-19(26-2)13-11-18/h3-15,22-23H,16H2,1-2H3
InChIKeyVWJVPYZCIKIONN-UHFFFAOYSA-N
XLogP4.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-(2-chloro-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 45101977
N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641
1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
CID 3045430
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide
CID 7384805
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
methyl (2S,3S)-3-(4-methoxyanilino)-2-[[(4-methylphenyl)sulfonylamino]methyl]-5-phenylpent-4-ynoate
CID 102149335

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide (CID 101386257) is N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)Sc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide?
The InChIKey is VWJVPYZCIKIONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S2/c1-17-8-14-21(15-9-17)28(24,25)23-16-22(27-20-6-4-3-5-7-20)18-10-12-19(26-2)13-11-18/h3-15,22-23H,16H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide?
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide has a molecular weight of 413.56 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101386257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).