N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide

C25H29N3O4S — CID 31911227

IUPACN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H29N3O4S/c1-2-32-24-13-12-22(33(30,31)28-16-4-3-5-17-28)19-23(24)26-25(29)18-20-8-10-21(11-9-20)27-14-6-7-15-27/h6-15,19H,2-5,16-18H2,1H3,(H,26,29)
InChIKeyDLCILNGLRDLWMX-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.23
Rot. Bonds8

About N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide

N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 31911227) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID31911227
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C25H29N3O4S/c1-2-32-24-13-12-22(33(30,31)28-16-4-3-5-17-28)19-23(24)26-25(29)18-20-8-10-21(11-9-20)27-14-6-7-15-27/h6-15,19H,2-5,16-18H2,1H3,(H,26,29)
InChIKeyDLCILNGLRDLWMX-UHFFFAOYSA-N
XLogP4.23
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911264
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 4816933
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
2-(4-methoxyphenyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92678134
2-benzo[e][1]benzofuran-1-yl-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4833110
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 55395583
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide (CID 31911227) is N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is DLCILNGLRDLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-2-32-24-13-12-22(33(30,31)28-16-4-3-5-17-28)19-23(24)26-25(29)18-20-8-10-21(11-9-20)27-14-6-7-15-27/h6-15,19H,2-5,16-18H2,1H3,(H,26,29).
What are the key properties of N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 31911227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).