N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide

C13H12F2N2O3S2 — CID 113002331

IUPACN-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C13H12F2N2O3S2/c1-8-5-6-12(21-8)22(19,20)16-7-11(18)17-13-9(14)3-2-4-10(13)15/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyAXYQVTJSBMJZEP-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.25
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide

N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide (PubChem CID 113002331) has the molecular formula C13H12F2N2O3S2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
PubChem CID113002331
Molecular FormulaC13H12F2N2O3S2
Molecular Weight346.38 g/mol
Exact Mass346.03
IUPAC NameN-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C13H12F2N2O3S2/c1-8-5-6-12(21-8)22(19,20)16-7-11(18)17-13-9(14)3-2-4-10(13)15/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyAXYQVTJSBMJZEP-UHFFFAOYSA-N
XLogP2.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112992526
N-(3-chlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112997887
N-(2,5-dichlorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 39793706
N-(2,6-dimethylphenyl)-2-[(5-ethylthiophen-2-yl)sulfonylamino]acetamide
CID 112996705
N-cyclopentyl-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112990935
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483
(3S)-3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
CID 95326957
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000478

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide (CID 113002331) is N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is AXYQVTJSBMJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S2/c1-8-5-6-12(21-8)22(19,20)16-7-11(18)17-13-9(14)3-2-4-10(13)15/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide?
N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 113002331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).