N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide

C17H23FN2O2S2 — CID 112503984

IUPACN-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H23FN2O2S2/c1-3-20(4-2)16(17-6-5-11-23-17)12-19-24(21,22)13-14-7-9-15(18)10-8-14/h5-11,16,19H,3-4,12-13H2,1-2H3
InChIKeyUUQXUEQGFOPVLH-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.39
Rot. Bonds9

About N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 112503984) has the molecular formula C17H23FN2O2S2 and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID112503984
Molecular FormulaC17H23FN2O2S2
Molecular Weight370.52 g/mol
Exact Mass370.12
IUPAC NameN-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCCN(CC)C(CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C17H23FN2O2S2/c1-3-20(4-2)16(17-6-5-11-23-17)12-19-24(21,22)13-14-7-9-15(18)10-8-14/h5-11,16,19H,3-4,12-13H2,1-2H3
InChIKeyUUQXUEQGFOPVLH-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 112503984) is N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide is CCN(CC)C(CNS(=O)(=O)Cc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is UUQXUEQGFOPVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2S2/c1-3-20(4-2)16(17-6-5-11-23-17)12-19-24(21,22)13-14-7-9-15(18)10-8-14/h5-11,16,19H,3-4,12-13H2,1-2H3.
What are the key properties of N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 112503984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).