N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

C20H27N3O5S — CID 22515239

IUPACN-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1OC
InChIInChI=1S/C20H27N3O5S/c1-22(15-8-6-5-7-9-15)20(24)17-13-16(21-29(25,26)23(17)2)14-10-11-18(27-3)19(12-14)28-4/h10-13,15H,5-9H2,1-4H3
InChIKeyCUYBPAPBMVPLRQ-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.36
Rot. Bonds5

About N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide

N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (PubChem CID 22515239) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
PubChem CID22515239
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
SMILESCOc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1OC
InChIInChI=1S/C20H27N3O5S/c1-22(15-8-6-5-7-9-15)20(24)17-13-16(21-29(25,26)23(17)2)14-10-11-18(27-3)19(12-14)28-4/h10-13,15H,5-9H2,1-4H3
InChIKeyCUYBPAPBMVPLRQ-UHFFFAOYSA-N
XLogP2.36
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253759
5-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 22515237
5-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylsulfanylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253725
2-(cyclopropylmethyl)-5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 160957019
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625626
N-cyclopentyl-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253511
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82183835
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 15997545
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 17253676

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide (CID 22515239) is N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)C3CCCCC3)=C2)cc1OC.
What is the InChIKey of N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is CUYBPAPBMVPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-22(15-8-6-5-7-9-15)20(24)17-13-16(21-29(25,26)23(17)2)14-10-11-18(27-3)19(12-14)28-4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide?
N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3,4-dimethoxyphenyl)-N,2-dimethyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 22515239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).