N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C21H26N4O5S — CID 42919344

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O5S/c1-29-18-5-2-16(3-6-18)19(24-8-11-30-12-9-24)14-22-21(26)17-4-7-20-23-31(27,28)13-10-25(20)15-17/h2-7,15,19H,8-14H2,1H3,(H,22,26)
InChIKeyHDPIJYMCSZPNDX-UHFFFAOYSA-N
MW446.53 g/mol
LogP0.68
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 42919344) has the molecular formula C21H26N4O5S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID42919344
Molecular FormulaC21H26N4O5S
Molecular Weight446.53 g/mol
Exact Mass446.16
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N2CCOCC2)cc1
InChIInChI=1S/C21H26N4O5S/c1-29-18-5-2-16(3-6-18)19(24-8-11-30-12-9-24)14-22-21(26)17-4-7-20-23-31(27,28)13-10-25(20)15-17/h2-7,15,19H,8-14H2,1H3,(H,22,26)
InChIKeyHDPIJYMCSZPNDX-UHFFFAOYSA-N
XLogP0.68
TPSA100.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467103
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25467101
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 42919344) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is COc1ccc(C(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is HDPIJYMCSZPNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S/c1-29-18-5-2-16(3-6-18)19(24-8-11-30-12-9-24)14-22-21(26)17-4-7-20-23-31(27,28)13-10-25(20)15-17/h2-7,15,19H,8-14H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 42919344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).