3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

C21H24Cl2N2O4S — CID 38905184

IUPAC3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24Cl2N2O4S/c1-29-18-10-9-16(14-19(18)30(27,28)25-12-3-2-4-13-25)24-20(26)11-8-15-6-5-7-17(22)21(15)23/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,24,26)
InChIKeyBDKPOVKKBTWCMH-UHFFFAOYSA-N
MW471.41 g/mol
LogP4.75
Rot. Bonds7

About 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 38905184) has the molecular formula C21H24Cl2N2O4S and a molecular weight of 471.41 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID38905184
Molecular FormulaC21H24Cl2N2O4S
Molecular Weight471.41 g/mol
Exact Mass470.08
IUPAC Name3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H24Cl2N2O4S/c1-29-18-10-9-16(14-19(18)30(27,28)25-12-3-2-4-13-25)24-20(26)11-8-15-6-5-7-17(22)21(15)23/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,24,26)
InChIKeyBDKPOVKKBTWCMH-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.41
LogP ≤ 54.75
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
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrazol-1-ylacetamide
CID 39723835
(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 92685233

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 38905184) is 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(NC(=O)CCc2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is BDKPOVKKBTWCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4S/c1-29-18-10-9-16(14-19(18)30(27,28)25-12-3-2-4-13-25)24-20(26)11-8-15-6-5-7-17(22)21(15)23/h5-7,9-10,14H,2-4,8,11-13H2,1H3,(H,24,26).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 471.41 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 38905184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).