3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide

C23H25N3O5S2 — CID 2382050

IUPAC3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C23H25N3O5S2/c27-22(25-23-24-19(17-32-23)16-31-20-4-2-1-3-5-20)11-8-18-6-9-21(10-7-18)33(28,29)26-12-14-30-15-13-26/h1-7,9-10,17H,8,11-16H2,(H,24,25,27)
InChIKeyHVOGGUSGADFVIC-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.31
Rot. Bonds9

About 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide

3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 2382050) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID2382050
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(COc2ccccc2)cs1
InChIInChI=1S/C23H25N3O5S2/c27-22(25-23-24-19(17-32-23)16-31-20-4-2-1-3-5-20)11-8-18-6-9-21(10-7-18)33(28,29)26-12-14-30-15-13-26/h1-7,9-10,17H,8,11-16H2,(H,24,25,27)
InChIKeyHVOGGUSGADFVIC-UHFFFAOYSA-N
XLogP3.31
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide (CID 2382050) is 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc(COc2ccccc2)cs1.
What is the InChIKey of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is HVOGGUSGADFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c27-22(25-23-24-19(17-32-23)16-31-20-4-2-1-3-5-20)11-8-18-6-9-21(10-7-18)33(28,29)26-12-14-30-15-13-26/h1-7,9-10,17H,8,11-16H2,(H,24,25,27).
What are the key properties of 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide?
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 2382050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).