N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide

C25H27NO7S — CID 35044024

About N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 35044024) has the molecular formula C25H27NO7S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
• PubChem CID: 35044024
• Molecular Formula: C25H27NO7S
• Molecular Weight: 485.56 g/mol
• Exact Mass: 485.15
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide
• SMILES: COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1OC
• InChI: InChI=1S/C25H27NO7S/c1-15-9-19-20(27)12-24(33-22(19)10-16(15)2)25(28)26(18-7-8-34(29,30)14-18)13-17-5-6-21(31-3)23(11-17)32-4/h5-6,9-12,18H,7-8,13-14H2,1-4H3/t18-/m1/s1
• InChIKey: XVEBUJUSSBMMGW-GOSISDBHSA-N
• XLogP: 3.26
• TPSA: 103.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.56
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide (CID 35044024) is N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide is COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[C@@H]2CCS(=O)(=O)C2)cc1OC.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?

The InChIKey is XVEBUJUSSBMMGW-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27NO7S/c1-15-9-19-20(27)12-24(33-22(19)10-16(15)2)25(28)26(18-7-8-34(29,30)14-18)13-17-5-6-21(31-3)23(11-17)32-4/h5-6,9-12,18H,7-8,13-14H2,1-4H3/t18-/m1/s1.

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide?

N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35044024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).