2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide

C14H23N3O3S — CID 113151480

IUPAC2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-3-4-6-10-16-14(18)12-17(21(2,19)20)11-13-8-5-7-9-15-13/h5,7-9H,3-4,6,10-12H2,1-2H3,(H,16,18)
InChIKeyQLXWDAXBGJYTQG-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.15
Rot. Bonds9

About 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide

2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide (PubChem CID 113151480) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
PubChem CID113151480
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(Cc1ccccn1)S(C)(=O)=O
InChIInChI=1S/C14H23N3O3S/c1-3-4-6-10-16-14(18)12-17(21(2,19)20)11-13-8-5-7-9-15-13/h5,7-9H,3-4,6,10-12H2,1-2H3,(H,16,18)
InChIKeyQLXWDAXBGJYTQG-UHFFFAOYSA-N
XLogP1.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
3-[bis(pyridin-2-ylmethyl)amino]-N-octadecylpropanamide
CID 10885861
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151497
2-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150524
2-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 113150116
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113151528
2-(4-chlorophenoxy)-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]acetamide
CID 113067274
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113151534

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide?
The IUPAC name of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide (CID 113151480) is 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide?
The canonical SMILES for 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide is CCCCCNC(=O)CN(Cc1ccccn1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide?
The InChIKey is QLXWDAXBGJYTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-4-6-10-16-14(18)12-17(21(2,19)20)11-13-8-5-7-9-15-13/h5,7-9H,3-4,6,10-12H2,1-2H3,(H,16,18).
What are the key properties of 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide?
2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide has a molecular weight of 313.42 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(pyridin-2-ylmethyl)amino]-N-pentylacetamide is sourced from PubChem (CID 113151480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).