N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

C25H24N2O4S — CID 132674406

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESCC1(C)CC(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c2ccccc2O1
InChIInChI=1S/C25H24N2O4S/c1-25(2)15-20(19-11-4-7-13-22(19)31-25)26-24(28)16-27-21-12-6-3-9-17(21)18-10-5-8-14-23(18)32(27,29)30/h3-14,20H,15-16H2,1-2H3,(H,26,28)
InChIKeyWOMZPKIXAZRRSF-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.28
Rot. Bonds3

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (PubChem CID 132674406) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
PubChem CID132674406
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
SMILESCC1(C)CC(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c2ccccc2O1
InChIInChI=1S/C25H24N2O4S/c1-25(2)15-20(19-11-4-7-13-22(19)31-25)26-24(28)16-27-21-12-6-3-9-17(21)18-10-5-8-14-23(18)32(27,29)30/h3-14,20H,15-16H2,1-2H3,(H,26,28)
InChIKeyWOMZPKIXAZRRSF-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 92626763
N-cycloheptyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591837
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 132655809
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-phenylsulfanylpropanamide
CID 132652300
4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pentanamide;hydrochloride
CID 120563166
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-cyclohexylacetamide
CID 17200925
N-butyl-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 28591877
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 46978053

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide (CID 132674406) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is CC1(C)CC(NC(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
The InChIKey is WOMZPKIXAZRRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-25(2)15-20(19-11-4-7-13-22(19)31-25)26-24(28)16-27-21-12-6-3-9-17(21)18-10-5-8-14-23(18)32(27,29)30/h3-14,20H,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide has a molecular weight of 448.54 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide is sourced from PubChem (CID 132674406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).