2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide

C17H21N3O3S — CID 113067334

IUPAC2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-14-6-3-4-8-16(14)17(21)19-10-11-20(24(2,22)23)13-15-7-5-9-18-12-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyHTPADHCUOFNYGG-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.58
Rot. Bonds7

About 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide

2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide (PubChem CID 113067334) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
PubChem CID113067334
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(Cc1cccnc1)S(C)(=O)=O
InChIInChI=1S/C17H21N3O3S/c1-14-6-3-4-8-16(14)17(21)19-10-11-20(24(2,22)23)13-15-7-5-9-18-12-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyHTPADHCUOFNYGG-UHFFFAOYSA-N
XLogP1.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]acetamide
CID 113067370
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
1-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-3-propan-2-ylurea
CID 113067380
N-[2-[benzyl(methylsulfonyl)amino]ethyl]-2-fluorobenzamide
CID 113066552
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]-2-phenylethanesulfonamide
CID 113067398
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894
2-chloro-N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066969
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide (CID 113067334) is 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide is Cc1ccccc1C(=O)NCCN(Cc1cccnc1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide?
The InChIKey is HTPADHCUOFNYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-14-6-3-4-8-16(14)17(21)19-10-11-20(24(2,22)23)13-15-7-5-9-18-12-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide?
2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[methylsulfonyl(pyridin-3-ylmethyl)amino]ethyl]benzamide is sourced from PubChem (CID 113067334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).