3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

C22H27ClN2O4S — CID 24620503

IUPAC3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H27ClN2O4S/c1-2-29-20-12-11-19(16-21(20)30(27,28)25-14-4-3-5-15-25)24-22(26)13-8-17-6-9-18(23)10-7-17/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,24,26)
InChIKeyOSNLZWPHSXEOAK-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.48
Rot. Bonds8

About 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24620503) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID24620503
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H27ClN2O4S/c1-2-29-20-12-11-19(16-21(20)30(27,28)25-14-4-3-5-15-25)24-22(26)13-8-17-6-9-18(23)10-7-17/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,24,26)
InChIKeyOSNLZWPHSXEOAK-UHFFFAOYSA-N
XLogP4.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24644740
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535056
N-(4-butylphenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647774
tert-butyl N-[3-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]carbamate
CID 31361726
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-(4-ethylphenyl)acetamide
CID 92647686
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 31009962
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 24620503) is 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is CCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is OSNLZWPHSXEOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-2-29-20-12-11-19(16-21(20)30(27,28)25-14-4-3-5-15-25)24-22(26)13-8-17-6-9-18(23)10-7-17/h6-7,9-12,16H,2-5,8,13-15H2,1H3,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 450.99 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24620503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).