4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide

C15H19F2NO4S — CID 95616061

IUPAC4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc(C)c1OC(F)F
InChIInChI=1S/C15H19F2NO4S/c1-9-5-12(6-10(2)13(9)22-15(16)17)14(19)18-7-11-3-4-23(20,21)8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyYQOREXCMHDXTPP-LLVKDONJSA-N
MW347.38 g/mol
LogP2.07
Rot. Bonds5

About 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide

4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide (PubChem CID 95616061) has the molecular formula C15H19F2NO4S and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide
PubChem CID95616061
Molecular FormulaC15H19F2NO4S
Molecular Weight347.38 g/mol
Exact Mass347.10
IUPAC Name4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc(C)c1OC(F)F
InChIInChI=1S/C15H19F2NO4S/c1-9-5-12(6-10(2)13(9)22-15(16)17)14(19)18-7-11-3-4-23(20,21)8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyYQOREXCMHDXTPP-LLVKDONJSA-N
XLogP2.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107028005
3-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethoxybenzamide
CID 81093505
N-[(1,1-dioxothiolan-3-yl)methyl]-3-hydroxybenzamide
CID 62131621
N-(4-aminocyclohexyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119478485
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 47156867
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(2-methylphenyl)acetamide
CID 47156970
4-[(1,1-dioxothiolan-3-yl)methylcarbamoylamino]-N-(2-methoxyethyl)-3-methylbenzamide
CID 72923693
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-5-fluoro-2-methoxybenzamide
CID 94020752
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249228
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 94020775

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide (CID 95616061) is 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide is Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc(C)c1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide?
The InChIKey is YQOREXCMHDXTPP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F2NO4S/c1-9-5-12(6-10(2)13(9)22-15(16)17)14(19)18-7-11-3-4-23(20,21)8-11/h5-6,11,15H,3-4,7-8H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide?
4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide has a molecular weight of 347.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 95616061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).