N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C18H21N3O4S — CID 27447119

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1
InChIInChI=1S/C18H21N3O4S/c1-14-4-3-5-16(12-14)25-10-8-20(2)18(22)15-6-7-17-19-26(23,24)11-9-21(17)13-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGOFFCXAMJUZDAP-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.33
Rot. Bonds5

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 27447119) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID27447119
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1
InChIInChI=1S/C18H21N3O4S/c1-14-4-3-5-16(12-14)25-10-8-20(2)18(22)15-6-7-17-19-26(23,24)11-9-21(17)13-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGOFFCXAMJUZDAP-UHFFFAOYSA-N
XLogP1.33
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30755038
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenoxypyridine-3-carboxamide
CID 55431158
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 36753631
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 27447119) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1cccc(OCCN(C)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is GOFFCXAMJUZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-14-4-3-5-16(12-14)25-10-8-20(2)18(22)15-6-7-17-19-26(23,24)11-9-21(17)13-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 27447119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).