N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide

C15H22N2O4S — CID 133230277

IUPACN-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)CCCN(C)S2(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-21-13-8-6-12(7-9-13)16-14(18)15(2)10-5-11-17(3)22(15,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyHAHFDHWRVKBYTF-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.84
Rot. Bonds4

About N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide

N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide (PubChem CID 133230277) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
PubChem CID133230277
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C)CCCN(C)S2(=O)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-21-13-8-6-12(7-9-13)16-14(18)15(2)10-5-11-17(3)22(15,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyHAHFDHWRVKBYTF-UHFFFAOYSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[[(6S)-2,6-dimethyl-1,1-dioxothiazinane-6-carbonyl]amino]phenoxy]acetate
CID 100783994
2,6-dimethyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230278
(5R)-2-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,1-dioxo-1,2-thiazolidine-5-carboxamide
CID 100783185
ethyl 2-[4-[[(5S)-5-methyl-1,1-dioxo-2-phenyl-1,2-thiazolidine-5-carbonyl]amino]phenoxy]acetate
CID 100783577
2-(2,6-dimethylphenyl)-N-(4-methoxyphenyl)-6-methyl-1,1-dioxothiazinane-6-carboxamide
CID 133230238
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
(6S)-2-(4-methoxyphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 100783860
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 133230240
(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
CID 125063180
(4S)-N-(4-ethoxyphenyl)-1-ethyl-4-phenylazepane-4-carboxamide
CID 95100675

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide (CID 133230277) is N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide is CCOc1ccc(NC(=O)C2(C)CCCN(C)S2(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide?
The InChIKey is HAHFDHWRVKBYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-21-13-8-6-12(7-9-13)16-14(18)15(2)10-5-11-17(3)22(15,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide?
N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,6-dimethyl-1,1-dioxothiazinane-6-carboxamide is sourced from PubChem (CID 133230277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).