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

C24H23NO5S — CID 10296812

IUPACN-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCOc1ccc2c(c1OC)-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C24H23NO5S/c1-4-14-29-21-13-12-20-22(24(21)28-2)18-11-10-17(25-31(3,26)27)15-19(18)23(30-20)16-8-6-5-7-9-16/h4-13,15,23,25H,1,14H2,2-3H3
InChIKeyYZLDHMLZJOKTMN-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.78
Rot. Bonds7

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

N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide (PubChem CID 10296812) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide
PubChem CID10296812
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC NameN-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide
SMILESC=CCOc1ccc2c(c1OC)-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2
InChIInChI=1S/C24H23NO5S/c1-4-14-29-21-13-12-20-22(24(21)28-2)18-11-10-17(25-31(3,26)27)15-19(18)23(30-20)16-8-6-5-7-9-16/h4-13,15,23,25H,1,14H2,2-3H3
InChIKeyYZLDHMLZJOKTMN-UHFFFAOYSA-N
XLogP4.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.78
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 N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The IUPAC name of N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide (CID 10296812) is N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The canonical SMILES for N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide is C=CCOc1ccc2c(c1OC)-c1ccc(NS(C)(=O)=O)cc1C(c1ccccc1)O2.
What is the InChIKey of N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide?
The InChIKey is YZLDHMLZJOKTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-4-14-29-21-13-12-20-22(24(21)28-2)18-11-10-17(25-31(3,26)27)15-19(18)23(30-20)16-8-6-5-7-9-16/h4-13,15,23,25H,1,14H2,2-3H3.
What are the key properties of N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide?
N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-6-phenyl-2-prop-2-enoxy-6H-benzo[c]chromen-8-yl)methanesulfonamide is sourced from PubChem (CID 10296812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).