4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide

C23H28ClN3O5S — CID 26265706

IUPAC4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-2-32-21-11-10-19(33(30,31)27-14-4-3-5-15-27)16-20(21)26-22(28)12-13-25-23(29)17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyVLFQLFIWMUTVAZ-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.67
Rot. Bonds9

About 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide

4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide (PubChem CID 26265706) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
PubChem CID26265706
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Name4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-2-32-21-11-10-19(33(30,31)27-14-4-3-5-15-27)16-20(21)26-22(28)12-13-25-23(29)17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28)
InChIKeyVLFQLFIWMUTVAZ-UHFFFAOYSA-N
XLogP3.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9006752
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
CID 4831895
N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 4817035
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide (CID 26265706) is 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide?
The InChIKey is VLFQLFIWMUTVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-2-32-21-11-10-19(33(30,31)27-14-4-3-5-15-27)16-20(21)26-22(28)12-13-25-23(29)17-6-8-18(24)9-7-17/h6-11,16H,2-5,12-15H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide?
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide has a molecular weight of 494.01 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 26265706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).