methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate

C22H29NO6S — CID 145359334

IUPACmethyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C22H29NO6S/c1-16(2)21(22(24)29-5)30(25,26)23(14-17-6-10-19(27-3)11-7-17)15-18-8-12-20(28-4)13-9-18/h6-13,16,21H,14-15H2,1-5H3/t21-/m1/s1
InChIKeyAZOICZRLLYKIRZ-OAQYLSRUSA-N
MW435.54 g/mol
LogP3.23
Rot. Bonds10

About methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate

methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate (PubChem CID 145359334) has the molecular formula C22H29NO6S and a molecular weight of 435.54 g/mol. Its IUPAC name is methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
PubChem CID145359334
Molecular FormulaC22H29NO6S
Molecular Weight435.54 g/mol
Exact Mass435.17
IUPAC Namemethyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
SMILESCOC(=O)[C@@H](C(C)C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C22H29NO6S/c1-16(2)21(22(24)29-5)30(25,26)23(14-17-6-10-19(27-3)11-7-17)15-18-8-12-20(28-4)13-9-18/h6-13,16,21H,14-15H2,1-5H3/t21-/m1/s1
InChIKeyAZOICZRLLYKIRZ-OAQYLSRUSA-N
XLogP3.23
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
methyl (2R)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]pent-4-enoate;methyl (2S)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]sulfamoyl]pent-4-enoate
CID 158126674
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 122701248
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N,N-bis[(4-methoxyphenyl)methyl]-3-methyl-5-oxopentane-2-sulfonamide
CID 170936388
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-(5-methylpyrimidin-2-yl)-1-oxopropane-2-sulfonamide
CID 122701180
(1R,2R)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfonamide
CID 118910363
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide
CID 158198081
methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate?
The IUPAC name of methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate (CID 145359334) is methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate is COC(=O)[C@@H](C(C)C)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate?
The InChIKey is AZOICZRLLYKIRZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29NO6S/c1-16(2)21(22(24)29-5)30(25,26)23(14-17-6-10-19(27-3)11-7-17)15-18-8-12-20(28-4)13-9-18/h6-13,16,21H,14-15H2,1-5H3/t21-/m1/s1.
What are the key properties of methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate?
methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate has a molecular weight of 435.54 g/mol, XLogP of 3.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate is sourced from PubChem (CID 145359334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).