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

C16H19N3O4S — CID 113151684

IUPACN-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-3-6-14(9-15)18-16(20)12-19(24(2,21)22)11-13-5-4-8-17-10-13/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyAHSZFXGIZOUOBM-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.49
Rot. Bonds7

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

N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 113151684) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
PubChem CID113151684
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)c1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-3-6-14(9-15)18-16(20)12-19(24(2,21)22)11-13-5-4-8-17-10-13/h3-10H,11-12H2,1-2H3,(H,18,20)
InChIKeyAHSZFXGIZOUOBM-UHFFFAOYSA-N
XLogP1.49
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151319
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
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
2-[2-methoxyethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113149351
2-[(4-methoxyphenyl)methyl-methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 113151269
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
N-[2-(3-methoxyphenyl)ethyl]-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139911
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide (CID 113151684) is N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is COc1cccc(NC(=O)CN(Cc2cccnc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
The InChIKey is AHSZFXGIZOUOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-7-3-6-14(9-15)18-16(20)12-19(24(2,21)22)11-13-5-4-8-17-10-13/h3-10H,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide?
N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 349.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 113151684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).