3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide

C13H21N3O4S — CID 113137660

IUPAC3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOCCN(CCC(=O)NCc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-20-9-8-16(21(2,18)19)7-5-13(17)15-11-12-4-3-6-14-10-12/h3-4,6,10H,5,7-9,11H2,1-2H3,(H,15,17)
InChIKeySFXOEWNUBGPEKO-UHFFFAOYSA-N
MW315.39 g/mol
LogP-0.00
Rot. Bonds9

About 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide

3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113137660) has the molecular formula C13H21N3O4S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113137660
Molecular FormulaC13H21N3O4S
Molecular Weight315.39 g/mol
Exact Mass315.13
IUPAC Name3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOCCN(CCC(=O)NCc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C13H21N3O4S/c1-20-9-8-16(21(2,18)19)7-5-13(17)15-11-12-4-3-6-14-10-12/h3-4,6,10H,5,7-9,11H2,1-2H3,(H,15,17)
InChIKeySFXOEWNUBGPEKO-UHFFFAOYSA-N
XLogP-0.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-methoxypropyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137826
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113138115
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137961
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
3-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113145189
N-(2-methoxyethyl)-2-methyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]furan-3-carboxamide
CID 42779908
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide (CID 113137660) is 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide is COCCN(CCC(=O)NCc1cccnc1)S(C)(=O)=O.
What is the InChIKey of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SFXOEWNUBGPEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-20-9-8-16(21(2,18)19)7-5-13(17)15-11-12-4-3-6-14-10-12/h3-4,6,10H,5,7-9,11H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide?
3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 315.39 g/mol, XLogP of -0.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(methylsulfonyl)amino]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113137660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).