N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

C24H24N2O4S — CID 50815454

IUPACN-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1
InChIInChI=1S/C24H24N2O4S/c1-16-14-18(24(27)25-13-12-17-8-10-19(30-3)11-9-17)15-21-20-6-4-5-7-22(20)31(28,29)26(2)23(16)21/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)
InChIKeyDVCDRDNQBXDWOW-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 50815454) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID50815454
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1
InChIInChI=1S/C24H24N2O4S/c1-16-14-18(24(27)25-13-12-17-8-10-19(30-3)11-9-17)15-21-20-6-4-5-7-22(20)31(28,29)26(2)23(16)21/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)
InChIKeyDVCDRDNQBXDWOW-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (CID 50815454) is N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is COc1ccc(CCNC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is DVCDRDNQBXDWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-16-14-18(24(27)25-13-12-17-8-10-19(30-3)11-9-17)15-21-20-6-4-5-7-22(20)31(28,29)26(2)23(16)21/h4-11,14-15H,12-13H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 50815454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).