N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide

C19H17FN2OS — CID 110360844

IUPACN-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2OS/c20-16-5-7-17(8-6-16)22(14-15-3-1-11-21-13-15)19(23)10-9-18-4-2-12-24-18/h1-8,11-13H,9-10,14H2
InChIKeyMDRMOQUMGQFIJQ-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.45
Rot. Bonds6

About N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide

N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide (PubChem CID 110360844) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
PubChem CID110360844
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2OS/c20-16-5-7-17(8-6-16)22(14-15-3-1-11-21-13-15)19(23)10-9-18-4-2-12-24-18/h1-8,11-13H,9-10,14H2
InChIKeyMDRMOQUMGQFIJQ-UHFFFAOYSA-N
XLogP4.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55891678
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(4-fluorophenyl)-3-[(2R,5R)-5-methyloxolan-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 95968149
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
CID 174419300
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71938987

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide (CID 110360844) is N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)N(Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is MDRMOQUMGQFIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c20-16-5-7-17(8-6-16)22(14-15-3-1-11-21-13-15)19(23)10-9-18-4-2-12-24-18/h1-8,11-13H,9-10,14H2.
What are the key properties of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide?
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110360844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).