1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide

C18H21N3O4S — CID 72875793

IUPAC1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccccc1OCCc1ccccn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H21N3O4S/c22-18(21-10-13-26(23,24)14-11-21)20-16-6-1-2-7-17(16)25-12-8-15-5-3-4-9-19-15/h1-7,9H,8,10-14H2,(H,20,22)
InChIKeyGMQRYHGGPKMHHN-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.97
Rot. Bonds5

About 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide

1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide (PubChem CID 72875793) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide
PubChem CID72875793
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide
SMILESO=C(Nc1ccccc1OCCc1ccccn1)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H21N3O4S/c22-18(21-10-13-26(23,24)14-11-21)20-16-6-1-2-7-17(16)25-12-8-15-5-3-4-9-19-15/h1-7,9H,8,10-14H2,(H,20,22)
InChIKeyGMQRYHGGPKMHHN-UHFFFAOYSA-N
XLogP1.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 72933823
2-cyano-N-[2-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 168521174
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
CID 97455589
N-[2-(2-methoxyethoxy)phenyl]-3-phenylpiperazine-1-carboxamide
CID 72938413
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113108369
(3S,4S)-3,4-dihydroxy-N-[2-(3-phenylpropoxy)phenyl]piperidine-1-carboxamide
CID 118761290
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide?
The IUPAC name of 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide (CID 72875793) is 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide is O=C(Nc1ccccc1OCCc1ccccn1)N1CCS(=O)(=O)CC1.
What is the InChIKey of 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide?
The InChIKey is GMQRYHGGPKMHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-18(21-10-13-26(23,24)14-11-21)20-16-6-1-2-7-17(16)25-12-8-15-5-3-4-9-19-15/h1-7,9H,8,10-14H2,(H,20,22).
What are the key properties of 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide?
1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[2-(2-pyridin-2-ylethoxy)phenyl]-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 72875793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).