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

C21H25ClN2O4S — CID 25437805

IUPAC3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25ClN2O4S/c1-28-19-11-10-18(15-20(19)29(26,27)24-13-3-2-4-14-24)23-21(25)12-7-16-5-8-17(22)9-6-16/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,23,25)
InChIKeyOBUMENKGLMSQEA-UHFFFAOYSA-N
MW436.96 g/mol
LogP4.09
Rot. Bonds7

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

3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 25437805) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID25437805
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25ClN2O4S/c1-28-19-11-10-18(15-20(19)29(26,27)24-13-3-2-4-14-24)23-21(25)12-7-16-5-8-17(22)9-6-16/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,23,25)
InChIKeyOBUMENKGLMSQEA-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184
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
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43898819
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 25437805) is 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(NC(=O)CCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is OBUMENKGLMSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-28-19-11-10-18(15-20(19)29(26,27)24-13-3-2-4-14-24)23-21(25)12-7-16-5-8-17(22)9-6-16/h5-6,8-11,15H,2-4,7,12-14H2,1H3,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 436.96 g/mol, XLogP of 4.09, 7 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-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 25437805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).