2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C24H30N4O4S — CID 55628464

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C24H30N4O4S/c1-3-32-23-12-11-21(33(30,31)28-13-5-4-6-14-28)15-22(23)26-24(29)18-27(2)17-20-9-7-19(16-25)8-10-20/h7-12,15H,3-6,13-14,17-18H2,1-2H3,(H,26,29)
InChIKeyZNPUCTKWCVHIHF-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.20
Rot. Bonds9

About 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 55628464) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID55628464
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C24H30N4O4S/c1-3-32-23-12-11-21(33(30,31)28-13-5-4-6-14-28)15-22(23)26-24(29)18-27(2)17-20-9-7-19(16-25)8-10-20/h7-12,15H,3-6,13-14,17-18H2,1-2H3,(H,26,29)
InChIKeyZNPUCTKWCVHIHF-UHFFFAOYSA-N
XLogP3.20
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 24507686
2-[(4-cyanophenyl)methyl-propylamino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55843360
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4818859
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
3-cyano-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7927430
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
2-[(4-ethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8907976
N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 6492327

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 55628464) is 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is ZNPUCTKWCVHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-32-23-12-11-21(33(30,31)28-13-5-4-6-14-28)15-22(23)26-24(29)18-27(2)17-20-9-7-19(16-25)8-10-20/h7-12,15H,3-6,13-14,17-18H2,1-2H3,(H,26,29).
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 470.60 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 55628464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).