3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide

C18H19N3O5S — CID 95092659

IUPAC3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@H](Cc1ccco1)NC(=O)c1nc(CCS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C18H19N3O5S/c1-13(12-14-6-5-10-25-14)19-17(22)18-20-16(21-26-18)9-11-27(23,24)15-7-3-2-4-8-15/h2-8,10,13H,9,11-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyKQGRWBCIUGGSPG-CYBMUJFWSA-N
MW389.43 g/mol
LogP2.04
Rot. Bonds8

About 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide

3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 95092659) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID95092659
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@H](Cc1ccco1)NC(=O)c1nc(CCS(=O)(=O)c2ccccc2)no1
InChIInChI=1S/C18H19N3O5S/c1-13(12-14-6-5-10-25-14)19-17(22)18-20-16(21-26-18)9-11-27(23,24)15-7-3-2-4-8-15/h2-8,10,13H,9,11-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyKQGRWBCIUGGSPG-CYBMUJFWSA-N
XLogP2.04
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133730
N-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092694
3-(benzenesulfonylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 46354958
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[[3-(4-methylphenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 92884725
3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 50827812
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methylsulfonylpropanamide
CID 94171682
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057357
2-[(4-chlorophenyl)sulfonylamino]-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 55620142
2-N-[1-(furan-2-yl)propan-2-yl]-5-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353962

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide (CID 95092659) is 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide is C[C@H](Cc1ccco1)NC(=O)c1nc(CCS(=O)(=O)c2ccccc2)no1.
What is the InChIKey of 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KQGRWBCIUGGSPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-13(12-14-6-5-10-25-14)19-17(22)18-20-16(21-26-18)9-11-27(23,24)15-7-3-2-4-8-15/h2-8,10,13H,9,11-12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide?
3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)ethyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 95092659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).