2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide

C18H23N3O3S — CID 113067370

IUPAC2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-15-6-3-4-8-17(15)12-18(22)20-10-11-21(25(2,23)24)14-16-7-5-9-19-13-16/h3-9,13H,10-12,14H2,1-2H3,(H,20,22)
InChIKeyWKUJPOGSUGXOPL-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.51
Rot. Bonds8

About 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide

2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide (PubChem CID 113067370) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
PubChem CID113067370
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C18H23N3O3S/c1-15-6-3-4-8-17(15)12-18(22)20-10-11-21(25(2,23)24)14-16-7-5-9-19-13-16/h3-9,13H,10-12,14H2,1-2H3,(H,20,22)
InChIKeyWKUJPOGSUGXOPL-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 113067334
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
1-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-3-propan-2-ylurea
CID 113067380
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 113139903
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 113139495
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide
CID 113067398

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide (CID 113067370) is 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide is Cc1ccccc1CC(=O)NCCN(Cc1cccnc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide?
The InChIKey is WKUJPOGSUGXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-15-6-3-4-8-17(15)12-18(22)20-10-11-21(25(2,23)24)14-16-7-5-9-19-13-16/h3-9,13H,10-12,14H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide?
2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide is sourced from PubChem (CID 113067370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).