3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide

C25H27N3O5S — CID 55879565

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C25H27N3O5S/c29-24(27-22-9-13-25(26-18-22)33-19-21-4-2-1-3-5-21)12-8-20-6-10-23(11-7-20)34(30,31)28-14-16-32-17-15-28/h1-7,9-11,13,18H,8,12,14-17,19H2,(H,27,29)
InChIKeyUCQGTEHQHKJMLY-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.25
Rot. Bonds9

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide (PubChem CID 55879565) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide
PubChem CID55879565
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C25H27N3O5S/c29-24(27-22-9-13-25(26-18-22)33-19-21-4-2-1-3-5-21)12-8-20-6-10-23(11-7-20)34(30,31)28-14-16-32-17-15-28/h1-7,9-11,13,18H,8,12,14-17,19H2,(H,27,29)
InChIKeyUCQGTEHQHKJMLY-UHFFFAOYSA-N
XLogP3.25
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-(6-amino-3-pyridinyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119516414
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55584132
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]-3-phenylpropanamide
CID 1014410
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55841010
3-(4-morpholin-4-ylsulfonylphenyl)-N-(3-propoxyphenyl)propanamide
CID 55655217
N-benzyl-N'-(4-morpholin-4-ylsulfonylphenyl)butanediamide
CID 45028132
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910

Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide (CID 55879565) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(OCc2ccccc2)nc1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
The InChIKey is UCQGTEHQHKJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c29-24(27-22-9-13-25(26-18-22)33-19-21-4-2-1-3-5-21)12-8-20-6-10-23(11-7-20)34(30,31)28-14-16-32-17-15-28/h1-7,9-11,13,18H,8,12,14-17,19H2,(H,27,29).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide has a molecular weight of 481.57 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-(6-phenylmethoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 55879565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).