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

C27H31N3O4S — CID 55707386

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C27H31N3O4S/c31-26(29-20-24-15-16-28-27(19-24)34-21-23-7-3-1-4-8-23)14-11-22-9-12-25(13-10-22)35(32,33)30-17-5-2-6-18-30/h1,3-4,7-10,12-13,15-16,19H,2,5-6,11,14,17-18,20-21H2,(H,29,31)
InChIKeyISOZCXVKPFRZCG-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.08
Rot. Bonds10

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

N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55707386) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID55707386
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C27H31N3O4S/c31-26(29-20-24-15-16-28-27(19-24)34-21-23-7-3-1-4-8-23)14-11-22-9-12-25(13-10-22)35(32,33)30-17-5-2-6-18-30/h1,3-4,7-10,12-13,15-16,19H,2,5-6,11,14,17-18,20-21H2,(H,29,31)
InChIKeyISOZCXVKPFRZCG-UHFFFAOYSA-N
XLogP4.08
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55785725
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 26911264
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55889452
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
N-(2-benzylsulfanylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27861128
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
methyl N-[4-[[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]methyl]phenyl]carbamate
CID 55732074
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562799
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 55707386) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is ISOZCXVKPFRZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c31-26(29-20-24-15-16-28-27(19-24)34-21-23-7-3-1-4-8-23)14-11-22-9-12-25(13-10-22)35(32,33)30-17-5-2-6-18-30/h1,3-4,7-10,12-13,15-16,19H,2,5-6,11,14,17-18,20-21H2,(H,29,31).
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 493.63 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55707386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).