N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

C13H13FN2O3S2 — CID 3238020

IUPACN-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C13H13FN2O3S2/c1-9-4-5-10(7-11(9)14)16-12(17)8-15-21(18,19)13-3-2-6-20-13/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyMCKKFZULWPBZON-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.11
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide

N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 3238020) has the molecular formula C13H13FN2O3S2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID3238020
Molecular FormulaC13H13FN2O3S2
Molecular Weight328.39 g/mol
Exact Mass328.04
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1F
InChIInChI=1S/C13H13FN2O3S2/c1-9-4-5-10(7-11(9)14)16-12(17)8-15-21(18,19)13-3-2-6-20-13/h2-7,15H,8H2,1H3,(H,16,17)
InChIKeyMCKKFZULWPBZON-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615673
N-(3-methylsulfanylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 4615674
N-(4-acetylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995650
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
(2R)-N-(3-fluoro-4-methylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 40644975
dimethyl 5-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 55676636
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 46458891
N-[4-(diethylamino)-2-methylphenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 15995651
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31975893
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55678440
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55993123
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide (CID 3238020) is N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is Cc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is MCKKFZULWPBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S2/c1-9-4-5-10(7-11(9)14)16-12(17)8-15-21(18,19)13-3-2-6-20-13/h2-7,15H,8H2,1H3,(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 3238020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).