N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C19H19N3O5S — CID 17253567

IUPACN,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)cc1
InChIInChI=1S/C19H19N3O5S/c1-22-18(19(23)20-14-6-10-16(27-3)11-7-14)12-17(21-28(22,24)25)13-4-8-15(26-2)9-5-13/h4-12H,1-3H3,(H,20,23)
InChIKeyOGNAMMFCAYBJAA-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.21
Rot. Bonds5

About N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 17253567) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID17253567
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)cc1
InChIInChI=1S/C19H19N3O5S/c1-22-18(19(23)20-14-6-10-16(27-3)11-7-14)12-17(21-28(22,24)25)13-4-8-15(26-2)9-5-13/h4-12H,1-3H3,(H,20,23)
InChIKeyOGNAMMFCAYBJAA-UHFFFAOYSA-N
XLogP2.21
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-N-(oxolan-2-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 17253571
5-(furan-2-yl)-2-methyl-1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,2,6-thiadiazine-3-carboxamide
CID 17253815
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 160957019
(4-ethylpiperazin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625740
N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253511
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
1,3-bis(4-methoxyphenyl)urea
CID 139045428
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
4-bromo-N-(4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43410991
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
N-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134248
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 17253567) is N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(NC(=O)C2=CC(c3ccc(OC)cc3)=NS(=O)(=O)N2C)cc1.
What is the InChIKey of N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is OGNAMMFCAYBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-22-18(19(23)20-14-6-10-16(27-3)11-7-14)12-17(21-28(22,24)25)13-4-8-15(26-2)9-5-13/h4-12H,1-3H3,(H,20,23).
What are the key properties of N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 17253567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).