N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide

C25H35N3O5S — CID 24507686

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)CCOc1ccc(C)cc1
InChIInChI=1S/C25H35N3O5S/c1-4-32-24-13-12-22(34(30,31)28-14-6-5-7-15-28)18-23(24)26-25(29)19-27(3)16-17-33-21-10-8-20(2)9-11-21/h8-13,18H,4-7,14-17,19H2,1-3H3,(H,26,29)
InChIKeyQZKHRRMYVLQHEW-UHFFFAOYSA-N
MW489.64 g/mol
LogP3.52
Rot. Bonds11

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide (PubChem CID 24507686) has the molecular formula C25H35N3O5S and a molecular weight of 489.64 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
PubChem CID24507686
Molecular FormulaC25H35N3O5S
Molecular Weight489.64 g/mol
Exact Mass489.23
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)CCOc1ccc(C)cc1
InChIInChI=1S/C25H35N3O5S/c1-4-32-24-13-12-22(34(30,31)28-14-6-5-7-15-28)18-23(24)26-25(29)19-27(3)16-17-33-21-10-8-20(2)9-11-21/h8-13,18H,4-7,14-17,19H2,1-3H3,(H,26,29)
InChIKeyQZKHRRMYVLQHEW-UHFFFAOYSA-N
XLogP3.52
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-cyanophenyl)methyl-methylamino]-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 55628464
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
2-[butyl(methyl)amino]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 31477878
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892534
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
2-(4-ethoxyphenoxy)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 16546031
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide (CID 24507686) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C)CCOc1ccc(C)cc1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
The InChIKey is QZKHRRMYVLQHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5S/c1-4-32-24-13-12-22(34(30,31)28-14-6-5-7-15-28)18-23(24)26-25(29)19-27(3)16-17-33-21-10-8-20(2)9-11-21/h8-13,18H,4-7,14-17,19H2,1-3H3,(H,26,29).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide has a molecular weight of 489.64 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 24507686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).