2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide

C12H19N3O3S — CID 113147492

IUPAC2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCCN(CC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-3-8-15(19(2,17)18)10-12(16)14-9-11-4-6-13-7-5-11/h4-7H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyRFZCLVCWZNICLP-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.37
Rot. Bonds7

About 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide

2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113147492) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113147492
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCCCN(CC(=O)NCc1ccncc1)S(C)(=O)=O
InChIInChI=1S/C12H19N3O3S/c1-3-8-15(19(2,17)18)10-12(16)14-9-11-4-6-13-7-5-11/h4-7H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyRFZCLVCWZNICLP-UHFFFAOYSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methylsulfonyl(2-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 963773
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138116
2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 113152810
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 113138358
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113151374
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
3-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113139767
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
3-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113141907
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151758

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide (CID 113147492) is 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide is CCCN(CC(=O)NCc1ccncc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is RFZCLVCWZNICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-8-15(19(2,17)18)10-12(16)14-9-11-4-6-13-7-5-11/h4-7H,3,8-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(propyl)amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113147492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).