N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C20H21N3O4S — CID 24516334

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(15-8-10-17(11-9-15)28(2,25)26)21-18(24)12-13-19-22-23-20(27-19)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyWENVTJDXQHUTEJ-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.95
Rot. Bonds7

About N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 24516334) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID24516334
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(15-8-10-17(11-9-15)28(2,25)26)21-18(24)12-13-19-22-23-20(27-19)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyWENVTJDXQHUTEJ-UHFFFAOYSA-N
XLogP2.95
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 41475071
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
N-[1-(2-methoxyphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017189
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24547864
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39705619
2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 86286746
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645445
3-[5-(2,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 75767320

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 24516334) is N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CC(NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is WENVTJDXQHUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14(15-8-10-17(11-9-15)28(2,25)26)21-18(24)12-13-19-22-23-20(27-19)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 399.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 24516334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).