3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide

C22H28N2O4S — CID 100504157

IUPAC3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C22H28N2O4S/c1-17-7-6-8-19(15-17)23-22(25)12-9-18-16-20(10-11-21(18)28-2)29(26,27)24-13-4-3-5-14-24/h6-8,10-11,15-16H,3-5,9,12-14H2,1-2H3,(H,23,25)
InChIKeyKITUJIVRLNRATJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.75
Rot. Bonds7

About 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide (PubChem CID 100504157) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
PubChem CID100504157
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C22H28N2O4S/c1-17-7-6-8-19(15-17)23-22(25)12-9-18-16-20(10-11-21(18)28-2)29(26,27)24-13-4-3-5-14-24/h6-8,10-11,15-16H,3-5,9,12-14H2,1-2H3,(H,23,25)
InChIKeyKITUJIVRLNRATJ-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100526473
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 100575909
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 100766357
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide (CID 100504157) is 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide?
The InChIKey is KITUJIVRLNRATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17-7-6-8-19(15-17)23-22(25)12-9-18-16-20(10-11-21(18)28-2)29(26,27)24-13-4-3-5-14-24/h6-8,10-11,15-16H,3-5,9,12-14H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide?
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide has a molecular weight of 416.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 100504157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).