3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide

C25H33N3O5S — CID 4968881

IUPAC3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1
InChIInChI=1S/C25H33N3O5S/c1-20-6-5-7-21(18-20)33-15-10-25(29)26-23-19-22(34(30,31)28-11-3-2-4-12-28)8-9-24(23)27-13-16-32-17-14-27/h5-9,18-19H,2-4,10-17H2,1H3,(H,26,29)
InChIKeyVNSRZYUTTHQIQH-UHFFFAOYSA-N
MW487.62 g/mol
LogP3.41
Rot. Bonds8

About 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide

3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 4968881) has the molecular formula C25H33N3O5S and a molecular weight of 487.62 g/mol. Its IUPAC name is 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID4968881
Molecular FormulaC25H33N3O5S
Molecular Weight487.62 g/mol
Exact Mass487.21
IUPAC Name3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1
InChIInChI=1S/C25H33N3O5S/c1-20-6-5-7-21(18-20)33-15-10-25(29)26-23-19-22(34(30,31)28-11-3-2-4-12-28)8-9-24(23)27-13-16-32-17-14-27/h5-9,18-19H,2-4,10-17H2,1H3,(H,26,29)
InChIKeyVNSRZYUTTHQIQH-UHFFFAOYSA-N
XLogP3.41
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.62
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)hexanamide
CID 18084204
3-ethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 56502010
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(2-methylpropoxy)propanamide
CID 55687311
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
2-(2,3-dimethylphenoxy)-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 24687416
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55759411
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55753197
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)benzamide
CID 4852264

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 4968881) is 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide is Cc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1.
What is the InChIKey of 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is VNSRZYUTTHQIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5S/c1-20-6-5-7-21(18-20)33-15-10-25(29)26-23-19-22(34(30,31)28-11-3-2-4-12-28)8-9-24(23)27-13-16-32-17-14-27/h5-9,18-19H,2-4,10-17H2,1H3,(H,26,29).
What are the key properties of 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide?
3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 487.62 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 4968881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).