N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C26H29N3O5S — CID 55661313

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-21-10-12-22(13-11-21)34-26-24(6-5-17-27-26)28-25(30)16-9-20-7-14-23(15-8-20)35(31,32)29-18-3-2-4-19-29/h5-8,10-15,17H,2-4,9,16,18-19H2,1H3,(H,28,30)
InChIKeyVOCPOEBZFNYEKZ-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.63
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55661313) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55661313
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-21-10-12-22(13-11-21)34-26-24(6-5-17-27-26)28-25(30)16-9-20-7-14-23(15-8-20)35(31,32)29-18-3-2-4-19-29/h5-8,10-15,17H,2-4,9,16,18-19H2,1H3,(H,28,30)
InChIKeyVOCPOEBZFNYEKZ-UHFFFAOYSA-N
XLogP4.63
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 56500263
4-(azepan-1-ylsulfonyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]benzamide
CID 55661532
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
4-fluoro-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55763825
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55661313) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(Oc2ncccc2NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is VOCPOEBZFNYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-21-10-12-22(13-11-21)34-26-24(6-5-17-27-26)28-25(30)16-9-20-7-14-23(15-8-20)35(31,32)29-18-3-2-4-19-29/h5-8,10-15,17H,2-4,9,16,18-19H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 495.60 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55661313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).