2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O3S — CID 112993012

IUPAC2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13(2)14-6-8-16(9-7-14)24(22,23)20-12-17(21)19-11-15-5-3-4-10-18-15/h3-10,13,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyVAIPNZSSFCEWAB-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.80
Rot. Bonds7

About 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 112993012) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID112993012
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O3S/c1-13(2)14-6-8-16(9-7-14)24(22,23)20-12-17(21)19-11-15-5-3-4-10-18-15/h3-10,13,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyVAIPNZSSFCEWAB-UHFFFAOYSA-N
XLogP1.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993027
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113055244
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
N-[2-(2-fluorophenyl)ethyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112993353
2-[(4-chlorophenyl)sulfonylmethylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 22300039
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 112993012) is 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is CC(C)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is VAIPNZSSFCEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(2)14-6-8-16(9-7-14)24(22,23)20-12-17(21)19-11-15-5-3-4-10-18-15/h3-10,13,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 112993012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).