5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide

C12H15F5N2O3S — CID 58137450

IUPAC5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(NC(C)=O)c(S(F)(F)(F)(F)F)cc1C
InChIInChI=1S/C12H15F5N2O3S/c1-7-5-11(23(13,14,15,16)17)10(18-8(2)20)6-9(7)12(21)19(3)22-4/h5-6H,1-4H3,(H,18,20)
InChIKeyDXPKNZLUNRDWCT-UHFFFAOYSA-N
MW362.32 g/mol
LogP4.24
Rot. Bonds4

About 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide

5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 58137450) has the molecular formula C12H15F5N2O3S and a molecular weight of 362.32 g/mol. Its IUPAC name is 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound Name5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID58137450
Molecular FormulaC12H15F5N2O3S
Molecular Weight362.32 g/mol
Exact Mass362.07
IUPAC Name5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide
SMILESCON(C)C(=O)c1cc(NC(C)=O)c(S(F)(F)(F)(F)F)cc1C
InChIInChI=1S/C12H15F5N2O3S/c1-7-5-11(23(13,14,15,16)17)10(18-8(2)20)6-9(7)12(21)19(3)22-4/h5-6H,1-4H3,(H,18,20)
InChIKeyDXPKNZLUNRDWCT-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055
N-methoxy-N,3-dimethyl-1,2-oxazole-4-carboxamide
CID 45099364
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
N-methoxy-N,3-dimethyl-4-(trifluoromethyl)benzamide
CID 86086315
3-amino-N-methoxy-N,4-dimethylbenzamide
CID 43627456
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
5-acetamido-4-(dimethylamino)-2-methoxybenzoate
CID 6936110
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
[4-[tert-butyl(dimethyl)silyl]oxy-2-[methoxy(methyl)carbamoyl]phenyl]carbamic acid
CID 87591455

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide (CID 58137450) is 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide is CON(C)C(=O)c1cc(NC(C)=O)c(S(F)(F)(F)(F)F)cc1C.
What is the InChIKey of 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is DXPKNZLUNRDWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2O3S/c1-7-5-11(23(13,14,15,16)17)10(18-8(2)20)6-9(7)12(21)19(3)22-4/h5-6H,1-4H3,(H,18,20).
What are the key properties of 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide?
5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 362.32 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-methoxy-N,2-dimethyl-4-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 58137450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).