N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide

C16H21N3O5S — CID 95092694

IUPACN-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
InChIInChI=1S/C16H21N3O5S/c1-4-11(2)17-15(20)16-18-14(19-24-16)9-10-25(21,22)13-7-5-12(23-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyXUGKGCLAFHPDKO-LLVKDONJSA-N
MW367.43 g/mol
LogP1.62
Rot. Bonds8

About N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide

N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 95092694) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID95092694
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC[C@@H](C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1
InChIInChI=1S/C16H21N3O5S/c1-4-11(2)17-15(20)16-18-14(19-24-16)9-10-25(21,22)13-7-5-12(23-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)/t11-/m1/s1
InChIKeyXUGKGCLAFHPDKO-LLVKDONJSA-N
XLogP1.62
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(4-methoxyphenyl)sulfonylethyl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
CID 53133939
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133965
N-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133928
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133966
3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 95092659
3-[2-(4-methylphenyl)sulfonylethyl]-N-(3-propan-2-yloxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133800
3-(benzenesulfonylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 46354958
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 120867431
3-[2-(4-methylphenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133810

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide (CID 95092694) is N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide is CC[C@@H](C)NC(=O)c1nc(CCS(=O)(=O)c2ccc(OC)cc2)no1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XUGKGCLAFHPDKO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-4-11(2)17-15(20)16-18-14(19-24-16)9-10-25(21,22)13-7-5-12(23-3)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 95092694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).