N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide

C23H30N4O6S — CID 24510864

IUPACN-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C23H30N4O6S/c1-32-15-12-24-23(29)26-22(28)17-25-20-16-19(34(30,31)27-13-6-3-7-14-27)10-11-21(20)33-18-8-4-2-5-9-18/h2,4-5,8-11,16,25H,3,6-7,12-15,17H2,1H3,(H2,24,26,28,29)
InChIKeyTTYNKGDQDNOJHC-UHFFFAOYSA-N
MW490.58 g/mol
LogP2.54
Rot. Bonds10

About N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide

N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 24510864) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID24510864
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide
SMILESCOCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1
InChIInChI=1S/C23H30N4O6S/c1-32-15-12-24-23(29)26-22(28)17-25-20-16-19(34(30,31)27-13-6-3-7-14-27)10-11-21(20)33-18-8-4-2-5-9-18/h2,4-5,8-11,16,25H,3,6-7,12-15,17H2,1H3,(H2,24,26,28,29)
InChIKeyTTYNKGDQDNOJHC-UHFFFAOYSA-N
XLogP2.54
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(ethylcarbamoyl)-2-[2-(3-methylphenoxy)-5-piperidin-1-ylsulfonylanilino]acetamide
CID 24510809
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 16534464
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 16533443
N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
CID 55410668
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 16568291
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 37479540
2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55364781
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-phenoxybutanamide
CID 4813371
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 24505987
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide (CID 24510864) is N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide is COCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is TTYNKGDQDNOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-32-15-12-24-23(29)26-22(28)17-25-20-16-19(34(30,31)27-13-6-3-7-14-27)10-11-21(20)33-18-8-4-2-5-9-18/h2,4-5,8-11,16,25H,3,6-7,12-15,17H2,1H3,(H2,24,26,28,29).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide?
N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 490.58 g/mol, XLogP of 2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-(2-phenoxy-5-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 24510864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).