2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

C24H29N3O5S — CID 16552159

IUPAC2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C24H29N3O5S/c1-17(2)31-23-12-11-21(33(29,30)27-13-5-4-6-14-27)15-22(23)26-24(28)18(3)32-20-9-7-19(16-25)8-10-20/h7-12,15,17-18H,4-6,13-14H2,1-3H3,(H,26,28)
InChIKeyCUSUPXDNSQOEJZ-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.93
Rot. Bonds8

About 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide

2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (PubChem CID 16552159) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
PubChem CID16552159
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C24H29N3O5S/c1-17(2)31-23-12-11-21(33(29,30)27-13-5-4-6-14-27)15-22(23)26-24(28)18(3)32-20-9-7-19(16-25)8-10-20/h7-12,15,17-18H,4-6,13-14H2,1-3H3,(H,26,28)
InChIKeyCUSUPXDNSQOEJZ-UHFFFAOYSA-N
XLogP3.93
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
(2S)-2-(4-cyanophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414961
2-methylsulfanyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 43077603
3-cyano-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)benzamide
CID 29457912
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclobutanecarboxamide
CID 7761073
(2S)-2-(3-chlorophenoxy)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26065788
2-(4-cyanophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 42909152
(2R)-2-(3-chlorophenoxy)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30394294
cis-(1S,2R)-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 26265477
(2S)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838711
(2R)-2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 8838712

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide (CID 16552159) is 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
The InChIKey is CUSUPXDNSQOEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17(2)31-23-12-11-21(33(29,30)27-13-5-4-6-14-27)15-22(23)26-24(28)18(3)32-20-9-7-19(16-25)8-10-20/h7-12,15,17-18H,4-6,13-14H2,1-3H3,(H,26,28).
What are the key properties of 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide?
2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide has a molecular weight of 471.58 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 16552159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).