(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid

C25H33NO6S — CID 145359163

IUPAC(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid
SMILESC=CCC[C@](C)(CCC(=O)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C25H33NO6S/c1-5-6-16-25(2,17-15-24(27)28)33(29,30)26(18-20-7-11-22(31-3)12-8-20)19-21-9-13-23(32-4)14-10-21/h5,7-14H,1,6,15-19H2,2-4H3,(H,27,28)/t25-/m1/s1
InChIKeySFQDPDQYKSCMJF-RUZDIDTESA-N
MW475.61 g/mol
LogP4.63
Rot. Bonds14

About (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid

(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid (PubChem CID 145359163) has the molecular formula C25H33NO6S and a molecular weight of 475.61 g/mol. Its IUPAC name is (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid.

Molecular Properties

Compound Name(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid
PubChem CID145359163
Molecular FormulaC25H33NO6S
Molecular Weight475.61 g/mol
Exact Mass475.20
IUPAC Name(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid
SMILESC=CCC[C@](C)(CCC(=O)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C25H33NO6S/c1-5-6-16-25(2,17-15-24(27)28)33(29,30)26(18-20-7-11-22(31-3)12-8-20)19-21-9-13-23(32-4)14-10-21/h5,7-14H,1,6,15-19H2,2-4H3,(H,27,28)/t25-/m1/s1
InChIKeySFQDPDQYKSCMJF-RUZDIDTESA-N
XLogP4.63
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid?
The IUPAC name of (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid (CID 145359163) is (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid.
What is the SMILES notation for (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid?
The canonical SMILES for (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid is C=CCC[C@](C)(CCC(=O)O)S(=O)(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid?
The InChIKey is SFQDPDQYKSCMJF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H33NO6S/c1-5-6-16-25(2,17-15-24(27)28)33(29,30)26(18-20-7-11-22(31-3)12-8-20)19-21-9-13-23(32-4)14-10-21/h5,7-14H,1,6,15-19H2,2-4H3,(H,27,28)/t25-/m1/s1.
What are the key properties of (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid?
(4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid has a molecular weight of 475.61 g/mol, XLogP of 4.63, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-4-methyloct-7-enoic acid is sourced from PubChem (CID 145359163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).