methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate

C27H30O6S — CID 132549454

IUPACmethyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate
SMILESCOC(=O)CCC(C(c1ccc(OC)cc1)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H30O6S/c1-19-5-15-24(16-6-19)34(29,30)25(17-18-26(28)33-4)27(20-7-11-22(31-2)12-8-20)21-9-13-23(32-3)14-10-21/h5-16,25,27H,17-18H2,1-4H3
InChIKeyDXRVQRJWDFUMMN-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.94
Rot. Bonds10

About methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate

methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate (PubChem CID 132549454) has the molecular formula C27H30O6S and a molecular weight of 482.60 g/mol. Its IUPAC name is methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate.

Molecular Properties

Compound Namemethyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate
PubChem CID132549454
Molecular FormulaC27H30O6S
Molecular Weight482.60 g/mol
Exact Mass482.18
IUPAC Namemethyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate
SMILESCOC(=O)CCC(C(c1ccc(OC)cc1)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H30O6S/c1-19-5-15-24(16-6-19)34(29,30)25(17-18-26(28)33-4)27(20-7-11-22(31-2)12-8-20)21-9-13-23(32-3)14-10-21/h5-16,25,27H,17-18H2,1-4H3
InChIKeyDXRVQRJWDFUMMN-UHFFFAOYSA-N
XLogP4.94
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-1-(4-methoxyphenyl)-N,N-dimethyl-2-(4-methylphenyl)sulfonylethanamine
CID 15525977
tert-butyl N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10287389
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
methyl (4S)-5-hydroxy-4-[(4-methylphenyl)sulfonylamino]pentanoate
CID 10957585
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
4-methoxy-N-[2,2,2-trichloro-1-(4-methylphenyl)sulfonylethyl]benzamide
CID 18560772
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92674265
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 78814090
N-[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]butanamide
CID 171990032
methyl 6-(4-methoxyphenyl)heptanoate
CID 174989555
ethyl 4-[[(1R,2R)-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-yl]amino]-4-oxobutanoate
CID 171990037

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate?
The IUPAC name of methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate (CID 132549454) is methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate.
What is the SMILES notation for methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate?
The canonical SMILES for methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate is COC(=O)CCC(C(c1ccc(OC)cc1)c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate?
The InChIKey is DXRVQRJWDFUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O6S/c1-19-5-15-24(16-6-19)34(29,30)25(17-18-26(28)33-4)27(20-7-11-22(31-2)12-8-20)21-9-13-23(32-3)14-10-21/h5-16,25,27H,17-18H2,1-4H3.
What are the key properties of methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate?
methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate has a molecular weight of 482.60 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-bis(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpentanoate is sourced from PubChem (CID 132549454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).