N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H25F2N3O4S — CID 16591815

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C24H25F2N3O4S/c25-17-8-9-20(21(26)14-17)22-16-27-24(33-22)11-10-23(30)28-18-6-5-7-19(15-18)34(31,32)29-12-3-1-2-4-13-29/h5-9,14-16H,1-4,10-13H2,(H,28,30)
InChIKeyWKDCIBWCXFKNSX-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.76
Rot. Bonds7

About N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16591815) has the molecular formula C24H25F2N3O4S and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16591815
Molecular FormulaC24H25F2N3O4S
Molecular Weight489.54 g/mol
Exact Mass489.15
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C24H25F2N3O4S/c25-17-8-9-20(21(26)14-17)22-16-27-24(33-22)11-10-23(30)28-18-6-5-7-19(15-18)34(31,32)29-12-3-1-2-4-13-29/h5-9,14-16H,1-4,10-13H2,(H,28,30)
InChIKeyWKDCIBWCXFKNSX-UHFFFAOYSA-N
XLogP4.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 29495929
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CID 60530628
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46690874
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 30668165
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110312103
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30765824
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]propanamide
CID 34643923
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16591815) is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WKDCIBWCXFKNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4S/c25-17-8-9-20(21(26)14-17)22-16-27-24(33-22)11-10-23(30)28-18-6-5-7-19(15-18)34(31,32)29-12-3-1-2-4-13-29/h5-9,14-16H,1-4,10-13H2,(H,28,30).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 489.54 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16591815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).