(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide

C18H17N3O4S — CID 97025860

IUPAC(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-2-16(13-7-4-3-5-8-13)17(22)21-26(23,24)15-10-6-9-14(11-15)18-20-19-12-25-18/h3-12,16H,2H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyVPXLKJVRMRKVGF-MRXNPFEDSA-N
MW371.42 g/mol
LogP2.74
Rot. Bonds6

About (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide

(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide (PubChem CID 97025860) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide
PubChem CID97025860
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1
InChIInChI=1S/C18H17N3O4S/c1-2-16(13-7-4-3-5-8-13)17(22)21-26(23,24)15-10-6-9-14(11-15)18-20-19-12-25-18/h3-12,16H,2H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyVPXLKJVRMRKVGF-MRXNPFEDSA-N
XLogP2.74
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-3-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylbut-2-enamide
CID 132969952
cis-(1R,2S)-2-cyclopropyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708540
trans-(1S,2S)-2-cyclohexyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonylcyclopropane-1-carboxamide
CID 99708524
(2R)-N-methylsulfonyl-2-phenylbutanamide
CID 94188019
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
N-(1-ethylsulfonylpropan-2-yl)-3-(1,3,4-oxadiazol-2-yl)aniline
CID 115928816
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
(2S)-2-phenyl-N-prop-2-enylsulfonylbutanamide
CID 97249147
(2-phenylbutanoylamino)urea
CID 63946462
2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide?
The IUPAC name of (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide (CID 97025860) is (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide is CC[C@@H](C(=O)NS(=O)(=O)c1cccc(-c2nnco2)c1)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide?
The InChIKey is VPXLKJVRMRKVGF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-2-16(13-7-4-3-5-8-13)17(22)21-26(23,24)15-10-6-9-14(11-15)18-20-19-12-25-18/h3-12,16H,2H2,1H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide?
(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide has a molecular weight of 371.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide is sourced from PubChem (CID 97025860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).