N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

C24H25NO5S — CID 10296963

IUPACN-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCOc1ccc(CC2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1
InChIInChI=1S/C24H25NO5S/c1-4-29-18-11-8-16(9-12-18)14-23-20-15-17(25-31(3,26)27)10-13-19(20)24-21(28-2)6-5-7-22(24)30-23/h5-13,15,23,25H,4,14H2,1-3H3
InChIKeyHYAYKPABTLRSLZ-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.81
Rot. Bonds7

About N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide

N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (PubChem CID 10296963) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
PubChem CID10296963
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC NameN-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide
SMILESCCOc1ccc(CC2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1
InChIInChI=1S/C24H25NO5S/c1-4-29-18-11-8-16(9-12-18)14-23-20-15-17(25-31(3,26)27)10-13-19(20)24-21(28-2)6-5-7-22(24)30-23/h5-13,15,23,25H,4,14H2,1-3H3
InChIKeyHYAYKPABTLRSLZ-UHFFFAOYSA-N
XLogP4.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The IUPAC name of N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide (CID 10296963) is N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is CCOc1ccc(CC2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1.
What is the InChIKey of N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
The InChIKey is HYAYKPABTLRSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-4-29-18-11-8-16(9-12-18)14-23-20-15-17(25-31(3,26)27)10-13-19(20)24-21(28-2)6-5-7-22(24)30-23/h5-13,15,23,25H,4,14H2,1-3H3.
What are the key properties of N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide?
N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide has a molecular weight of 439.53 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-ethoxyphenyl)methyl]-1-methoxy-6H-benzo[c]chromen-8-yl]methanesulfonamide is sourced from PubChem (CID 10296963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).