N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

C15H20F2N2O3S — CID 75427281

IUPACN-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCc1c(NC(=O)N2CCS(=O)C(C)(C)C2)cccc1OC(F)F
InChIInChI=1S/C15H20F2N2O3S/c1-10-11(5-4-6-12(10)22-13(16)17)18-14(20)19-7-8-23(21)15(2,3)9-19/h4-6,13H,7-9H2,1-3H3,(H,18,20)
InChIKeyJGKGNSJROBCNJI-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.97
Rot. Bonds3

About N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide

N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 75427281) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID75427281
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC NameN-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCc1c(NC(=O)N2CCS(=O)C(C)(C)C2)cccc1OC(F)F
InChIInChI=1S/C15H20F2N2O3S/c1-10-11(5-4-6-12(10)22-13(16)17)18-14(20)19-7-8-23(21)15(2,3)9-19/h4-6,13H,7-9H2,1-3H3,(H,18,20)
InChIKeyJGKGNSJROBCNJI-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98349201
1-[[2-(difluoromethoxy)-6-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079282
1-cyclopropyl-1-(2,2-difluoroethyl)-3-[3-(difluoromethoxy)-2-methylphenyl]urea
CID 71858397
2,2-dimethyl-1-oxo-N-[3-(propan-2-yloxymethyl)phenyl]-1,4-thiazinane-4-carboxamide
CID 71916967
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51134313
cis-(1R,3R)-N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52526871
N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
1-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076306
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
1-[[4-chloro-2-(difluoromethoxy)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122089952
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
(2S)-N-[2-(difluoromethoxy)phenyl]-2-ethylmorpholine-4-carboxamide
CID 95276927

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide (CID 75427281) is N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide is Cc1c(NC(=O)N2CCS(=O)C(C)(C)C2)cccc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is JGKGNSJROBCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-10-11(5-4-6-12(10)22-13(16)17)18-14(20)19-7-8-23(21)15(2,3)9-19/h4-6,13H,7-9H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide?
N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-2-methylphenyl]-2,2-dimethyl-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 75427281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).