N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C17H21N3O3S — CID 1210518

IUPACN-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)NCc2cccnc2)c(C)c1
InChIInChI=1S/C17H21N3O3S/c1-12-7-13(2)17(14(3)8-12)24(22,23)20-11-16(21)19-10-15-5-4-6-18-9-15/h4-9,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyZRBLBSTVCMVIFD-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.60
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 1210518) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID1210518
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)NCc2cccnc2)c(C)c1
InChIInChI=1S/C17H21N3O3S/c1-12-7-13(2)17(14(3)8-12)24(22,23)20-11-16(21)19-10-15-5-4-6-18-9-15/h4-9,20H,10-11H2,1-3H3,(H,19,21)
InChIKeyZRBLBSTVCMVIFD-UHFFFAOYSA-N
XLogP1.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 51162022
(2R)-3-phenyl-N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537318
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
2-[(2-fluorophenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 21156621
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
(3R)-N-(pyridin-3-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7379275
2-[(2,4-dimethoxyphenyl)methylsulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 22300495
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 1210518) is N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)NCC(=O)NCc2cccnc2)c(C)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is ZRBLBSTVCMVIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-7-13(2)17(14(3)8-12)24(22,23)20-11-16(21)19-10-15-5-4-6-18-9-15/h4-9,20H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1210518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).