N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide

C15H19F2NO5S2 — CID 9262089

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESCOc1cc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F
InChIInChI=1S/C15H19F2NO5S2/c1-22-13-6-10(2-3-12(13)23-15(16)17)7-18-14(19)8-24-11-4-5-25(20,21)9-11/h2-3,6,11,15H,4-5,7-9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyUFQFLNFTTUYUJR-LLVKDONJSA-N
MW395.45 g/mol
LogP1.83
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide (PubChem CID 9262089) has the molecular formula C15H19F2NO5S2 and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
PubChem CID9262089
Molecular FormulaC15H19F2NO5S2
Molecular Weight395.45 g/mol
Exact Mass395.07
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
SMILESCOc1cc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F
InChIInChI=1S/C15H19F2NO5S2/c1-22-13-6-10(2-3-12(13)23-15(16)17)7-18-14(19)8-24-11-4-5-25(20,21)9-11/h2-3,6,11,15H,4-5,7-9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyUFQFLNFTTUYUJR-LLVKDONJSA-N
XLogP1.83
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9269143
2-[(4-chlorophenyl)methylsulfanyl]-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 26553804
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9043887
N-(3-chloro-4-methoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 9046130
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide (CID 9262089) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide is COc1cc(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
The InChIKey is UFQFLNFTTUYUJR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F2NO5S2/c1-22-13-6-10(2-3-12(13)23-15(16)17)7-18-14(19)8-24-11-4-5-25(20,21)9-11/h2-3,6,11,15H,4-5,7-9H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide has a molecular weight of 395.45 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetamide is sourced from PubChem (CID 9262089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).