N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide

C18H23N3O3S — CID 113139894

IUPACN-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-20(14-16-7-4-3-5-8-16)18(22)10-12-21(25(2,23)24)15-17-9-6-11-19-13-17/h3-9,11,13H,10,12,14-15H2,1-2H3
InChIKeyWVKATHRPGAVOMP-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.89
Rot. Bonds8

About N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide

N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide (PubChem CID 113139894) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
PubChem CID113139894
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
SMILESCN(Cc1ccccc1)C(=O)CCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-20(14-16-7-4-3-5-8-16)18(22)10-12-21(25(2,23)24)15-17-9-6-11-19-13-17/h3-9,11,13H,10,12,14-15H2,1-2H3
InChIKeyWVKATHRPGAVOMP-UHFFFAOYSA-N
XLogP1.89
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139886
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The IUPAC name of N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide (CID 113139894) is N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The canonical SMILES for N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide is CN(Cc1ccccc1)C(=O)CCN(Cc1cccnc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The InChIKey is WVKATHRPGAVOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(14-16-7-4-3-5-8-16)18(22)10-12-21(25(2,23)24)15-17-9-6-11-19-13-17/h3-9,11,13H,10,12,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide has a molecular weight of 361.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 113139894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).