N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C22H22ClN3O5S — CID 24592654

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H22ClN3O5S/c23-18-7-6-17(14-20(18)32(28,29)26-10-12-30-13-11-26)25-21(27)8-9-22-24-15-19(31-22)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,25,27)
InChIKeyWUTCHFNDRHCUAS-UHFFFAOYSA-N
MW475.95 g/mol
LogP3.59
Rot. Bonds7

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 24592654) has the molecular formula C22H22ClN3O5S and a molecular weight of 475.95 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID24592654
Molecular FormulaC22H22ClN3O5S
Molecular Weight475.95 g/mol
Exact Mass475.10
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H22ClN3O5S/c23-18-7-6-17(14-20(18)32(28,29)26-10-12-30-13-11-26)25-21(27)8-9-22-24-15-19(31-22)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,25,27)
InChIKeyWUTCHFNDRHCUAS-UHFFFAOYSA-N
XLogP3.59
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.95
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16596491
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N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55684907
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
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CID 4877854
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30771703
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
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N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55667379
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 24592654) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is WUTCHFNDRHCUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S/c23-18-7-6-17(14-20(18)32(28,29)26-10-12-30-13-11-26)25-21(27)8-9-22-24-15-19(31-22)16-4-2-1-3-5-16/h1-7,14-15H,8-13H2,(H,25,27).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 475.95 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 24592654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).