N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide

C25H23NO5S — CID 154715598

IUPACN-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cccc2oc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c(C)c(=O)c12
InChIInChI=1S/C25H23NO5S/c1-17-12-14-20(15-13-17)32(28,29)26(16-19-8-5-4-6-9-19)25-18(2)24(27)23-21(30-3)10-7-11-22(23)31-25/h4-15H,16H2,1-3H3
InChIKeyGHWMSLPVVSIRMU-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.81
Rot. Bonds6

About N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide

N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide (PubChem CID 154715598) has the molecular formula C25H23NO5S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide
PubChem CID154715598
Molecular FormulaC25H23NO5S
Molecular Weight449.53 g/mol
Exact Mass449.13
IUPAC NameN-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide
SMILESCOc1cccc2oc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c(C)c(=O)c12
InChIInChI=1S/C25H23NO5S/c1-17-12-14-20(15-13-17)32(28,29)26(16-19-8-5-4-6-9-19)25-18(2)24(27)23-21(30-3)10-7-11-22(23)31-25/h4-15H,16H2,1-3H3
InChIKeyGHWMSLPVVSIRMU-UHFFFAOYSA-N
XLogP4.81
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide (CID 154715598) is N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide is COc1cccc2oc(N(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)c(C)c(=O)c12.
What is the InChIKey of N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is GHWMSLPVVSIRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5S/c1-17-12-14-20(15-13-17)32(28,29)26(16-19-8-5-4-6-9-19)25-18(2)24(27)23-21(30-3)10-7-11-22(23)31-25/h4-15H,16H2,1-3H3.
What are the key properties of N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide?
N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-methoxy-3-methyl-4-oxochromen-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 154715598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).