N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C13H12F2N2O3S2 — CID 4318851

IUPACN-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H12F2N2O3S2/c1-17(22(19,20)13-3-2-6-21-13)8-12(18)16-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,18)
InChIKeyZPXKONPLWFQHGE-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.29
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 4318851) has the molecular formula C13H12F2N2O3S2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID4318851
Molecular FormulaC13H12F2N2O3S2
Molecular Weight346.38 g/mol
Exact Mass346.03
IUPAC NameN-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H12F2N2O3S2/c1-17(22(19,20)13-3-2-6-21-13)8-12(18)16-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,18)
InChIKeyZPXKONPLWFQHGE-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide
CID 44520897
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
1-(2-Fluoro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
CID 893389
N-(4-fluorophenyl)-4-(piperidin-1-ylsulfonyl)thiophene-2-carboxamide
CID 1252955
N-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 1310286
N-Phenyl-2-{[4-(piperidine-1-sulfonyl)-benzenesulfonyl]-thiophen-2-ylmethyl-amino}-acetamide
CID 1435696

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 4318851) is N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ZPXKONPLWFQHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S2/c1-17(22(19,20)13-3-2-6-21-13)8-12(18)16-9-4-5-10(14)11(15)7-9/h2-7H,8H2,1H3,(H,16,18).
What are the key properties of N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4318851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).