N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C22H21N3O6S — CID 25432751

IUPACN-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc2OC)cc1
InChIInChI=1S/C22H21N3O6S/c1-29-17-5-7-18(8-6-17)31-20-13-16(4-9-19(20)30-2)23-22(26)15-3-10-21-24-32(27,28)12-11-25(21)14-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)
InChIKeyVMONVBPIAHKETL-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.93
Rot. Bonds6

About N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 25432751) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID25432751
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC NameN-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc2OC)cc1
InChIInChI=1S/C22H21N3O6S/c1-29-17-5-7-18(8-6-17)31-20-13-16(4-9-19(20)30-2)23-22(26)15-3-10-21-24-32(27,28)12-11-25(21)14-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,26)
InChIKeyVMONVBPIAHKETL-UHFFFAOYSA-N
XLogP2.93
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dioxo-N-(6-piperidin-1-yl-3-pyridinyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 17450520
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55671970
N-methyl-N-naphthalen-2-yl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 56827764
N-[1-(1-benzofuran-2-yl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46653482
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 18272971
N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 47091580
2-(2-methoxyethoxy)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]acetamide
CID 30902018
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066391
2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 30257849

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 25432751) is N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is COc1ccc(Oc2cc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is VMONVBPIAHKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-29-17-5-7-18(8-6-17)31-20-13-16(4-9-19(20)30-2)23-22(26)15-3-10-21-24-32(27,28)12-11-25(21)14-15/h3-10,13-14H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 25432751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).