N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

C12H20F2N2O3S2 — CID 106091838

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C12H20F2N2O3S2/c1-3-15-6-10-12(9(2)8-20-10)21(17,18)16-4-5-19-7-11(13)14/h8,11,15-16H,3-7H2,1-2H3
InChIKeyOZFHIJJKFHYEBL-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.73
Rot. Bonds10

About N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 106091838) has the molecular formula C12H20F2N2O3S2 and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
PubChem CID106091838
Molecular FormulaC12H20F2N2O3S2
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C12H20F2N2O3S2/c1-3-15-6-10-12(9(2)8-20-10)21(17,18)16-4-5-19-7-11(13)14/h8,11,15-16H,3-7H2,1-2H3
InChIKeyOZFHIJJKFHYEBL-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylthiophen-2-yl)-N-(2-morpholin-4-ylsulfonylethyl)ethanamine
CID 75471365
N,4-dimethyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751791
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751795
N,4-dimethyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751797
2-(ethylaminomethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751798
N,4-dimethyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102751800
4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752139
2-[(cyclopropylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752142
4-methyl-2-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752143
2-(ethylaminomethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752146
4-methyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752148
N-ethyl-4-methyl-2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102752909

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (CID 106091838) is N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is OZFHIJJKFHYEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3S2/c1-3-15-6-10-12(9(2)8-20-10)21(17,18)16-4-5-19-7-11(13)14/h8,11,15-16H,3-7H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 342.43 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106091838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).