3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

C23H30N2O5S — CID 4804187

IUPAC3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H30N2O5S/c1-17-7-8-18(2)21(15-17)30-14-11-23(26)24-19-9-10-20(29-3)22(16-19)31(27,28)25-12-5-4-6-13-25/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,26)
InChIKeySMTUAYSQVZOJBI-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.89
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 4804187) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID4804187
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H30N2O5S/c1-17-7-8-18(2)21(15-17)30-14-11-23(26)24-19-9-10-20(29-3)22(16-19)31(27,28)25-12-5-4-6-13-25/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,26)
InChIKeySMTUAYSQVZOJBI-UHFFFAOYSA-N
XLogP3.89
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
2-(3,4-dimethylphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798488
4-(4-chloro-3-methylphenoxy)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 4966507
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6216103
2-(2-fluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-sulfamoylphenyl]acetamide
CID 124125269
N-[4-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
CID 1101639
3-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 3988965
4-cyclohexyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 4270496
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-phenylpropanamide
CID 4330664
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4786767
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4831483
N-[4-methoxy-3-[(4-phenylmethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 4876778

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 4804187) is 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is SMTUAYSQVZOJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-17-7-8-18(2)21(15-17)30-14-11-23(26)24-19-9-10-20(29-3)22(16-19)31(27,28)25-12-5-4-6-13-25/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,26).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 446.57 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4804187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).