[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C25H25NO6S — CID 18504052

IUPAC[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1ccc2c(c1OC)-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(OC)c1)O2
InChIInChI=1S/C25H25NO6S/c1-4-12-31-22-11-10-21-23(25(22)30-3)19-9-8-16(15-33(26,27)28)13-20(19)24(32-21)17-6-5-7-18(14-17)29-2/h4-11,13-14,24H,1,12,15H2,2-3H3,(H2,26,27,28)
InChIKeyDORSFNBXEOIMNS-UHFFFAOYSA-N
MW467.54 g/mol
LogP4.21
Rot. Bonds8

About [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 18504052) has the molecular formula C25H25NO6S and a molecular weight of 467.54 g/mol. Its IUPAC name is [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID18504052
Molecular FormulaC25H25NO6S
Molecular Weight467.54 g/mol
Exact Mass467.14
IUPAC Name[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESC=CCOc1ccc2c(c1OC)-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(OC)c1)O2
InChIInChI=1S/C25H25NO6S/c1-4-12-31-22-11-10-21-23(25(22)30-3)19-9-8-16(15-33(26,27)28)13-20(19)24(32-21)17-6-5-7-18(14-17)29-2/h4-11,13-14,24H,1,12,15H2,2-3H3,(H2,26,27,28)
InChIKeyDORSFNBXEOIMNS-UHFFFAOYSA-N
XLogP4.21
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 18504052) is [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is C=CCOc1ccc2c(c1OC)-c1ccc(CS(N)(=O)=O)cc1C(c1cccc(OC)c1)O2.
What is the InChIKey of [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is DORSFNBXEOIMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6S/c1-4-12-31-22-11-10-21-23(25(22)30-3)19-9-8-16(15-33(26,27)28)13-20(19)24(32-21)17-6-5-7-18(14-17)29-2/h4-11,13-14,24H,1,12,15H2,2-3H3,(H2,26,27,28).
What are the key properties of [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
[1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 467.54 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-6-(3-methoxyphenyl)-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 18504052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).