2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O4S — CID 3163372

IUPAC2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-15-7-9-16(10-8-15)25(22,23)20(2)13-17(21)19-12-14-6-4-5-11-18-14/h4-11H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyYTZGRUVUQZDARB-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.42
Rot. Bonds8

About 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 3163372) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID3163372
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-24-15-7-9-16(10-8-15)25(22,23)20(2)13-17(21)19-12-14-6-4-5-11-18-14/h4-11H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyYTZGRUVUQZDARB-UHFFFAOYSA-N
XLogP1.42
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1076312
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 2878917
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 45375642
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
2-[(2-amino-5-bromo-3-pyridinyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 6623835
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 2897253
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92518774
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 30265447

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 3163372) is 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YTZGRUVUQZDARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-24-15-7-9-16(10-8-15)25(22,23)20(2)13-17(21)19-12-14-6-4-5-11-18-14/h4-11H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 3163372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).