1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide

C19H19FN2O2S2 — CID 121084962

IUPAC1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C19H19FN2O2S2/c20-18-7-5-16(6-8-18)15-26(23,24)22(11-9-19-4-2-12-25-19)14-17-3-1-10-21-13-17/h1-8,10,12-13H,9,11,14-15H2
InChIKeyHZCSEESUKFEWOO-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.86
Rot. Bonds8

About 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide

1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide (PubChem CID 121084962) has the molecular formula C19H19FN2O2S2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
PubChem CID121084962
Molecular FormulaC19H19FN2O2S2
Molecular Weight390.50 g/mol
Exact Mass390.09
IUPAC Name1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)Cc1cccnc1
InChIInChI=1S/C19H19FN2O2S2/c20-18-7-5-16(6-8-18)15-26(23,24)22(11-9-19-4-2-12-25-19)14-17-3-1-10-21-13-17/h1-8,10,12-13H,9,11,14-15H2
InChIKeyHZCSEESUKFEWOO-UHFFFAOYSA-N
XLogP3.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084971
4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085011
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084985
2-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)ethenesulfonamide
CID 71960546
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
N-(4-fluorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360866
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
N-(4-fluorophenyl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360869
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151614

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide (CID 121084962) is 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)N(CCc1cccs1)Cc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide?
The InChIKey is HZCSEESUKFEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S2/c20-18-7-5-16(6-8-18)15-26(23,24)22(11-9-19-4-2-12-25-19)14-17-3-1-10-21-13-17/h1-8,10,12-13H,9,11,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide has a molecular weight of 390.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide is sourced from PubChem (CID 121084962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).