N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide

C18H23N3O3S — CID 113139946

IUPACN-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-15-6-8-17(9-7-15)20-18(22)10-12-21(25(2,23)24)14-16-5-4-11-19-13-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22)
InChIKeyUUGWPYKHOQHVIU-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.43
Rot. Bonds8

About N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide

N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide (PubChem CID 113139946) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
PubChem CID113139946
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-15-6-8-17(9-7-15)20-18(22)10-12-21(25(2,23)24)14-16-5-4-11-19-13-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22)
InChIKeyUUGWPYKHOQHVIU-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113139998
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-[4-(dimethylamino)phenyl]-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151704
2-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113151663
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide (CID 113139946) is N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide is CCc1ccc(NC(=O)CCN(Cc2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
The InChIKey is UUGWPYKHOQHVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-15-6-8-17(9-7-15)20-18(22)10-12-21(25(2,23)24)14-16-5-4-11-19-13-16/h4-9,11,13H,3,10,12,14H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide?
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 113139946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).