N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide

C17H20FN3O3S — CID 113139758

IUPACN-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)Cc1ccccn1
InChIInChI=1S/C17H20FN3O3S/c1-25(23,24)21(13-16-4-2-3-10-19-16)11-9-17(22)20-12-14-5-7-15(18)8-6-14/h2-8,10H,9,11-13H2,1H3,(H,20,22)
InChIKeyMQBBZCUIKJDNQT-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.69
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide

N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide (PubChem CID 113139758) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
PubChem CID113139758
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)Cc1ccccn1
InChIInChI=1S/C17H20FN3O3S/c1-25(23,24)21(13-16-4-2-3-10-19-16)11-9-17(22)20-12-14-5-7-15(18)8-6-14/h2-8,10H,9,11-13H2,1H3,(H,20,22)
InChIKeyMQBBZCUIKJDNQT-UHFFFAOYSA-N
XLogP1.69
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113163380
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide (CID 113139758) is N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)Cc1ccccn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
The InChIKey is MQBBZCUIKJDNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-25(23,24)21(13-16-4-2-3-10-19-16)11-9-17(22)20-12-14-5-7-15(18)8-6-14/h2-8,10H,9,11-13H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide?
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide has a molecular weight of 365.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113139758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).