3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C16H15N3O5S — CID 22579342

IUPAC3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)o1
InChIInChI=1S/C16H15N3O5S/c1-11-7-8-12(23-11)9-17-15(20)16-18-14(19-24-16)10-25(21,22)13-5-3-2-4-6-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyHFGNUOISVMREQI-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.87
Rot. Bonds6

About 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22579342) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID22579342
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)o1
InChIInChI=1S/C16H15N3O5S/c1-11-7-8-12(23-11)9-17-15(20)16-18-14(19-24-16)10-25(21,22)13-5-3-2-4-6-13/h2-8H,9-10H2,1H3,(H,17,20)
InChIKeyHFGNUOISVMREQI-UHFFFAOYSA-N
XLogP1.87
TPSA115.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
3-[2-(benzenesulfonyl)ethyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133730
3-(benzenesulfonylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 46354958
3-(benzenesulfonylmethyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764616
3-[2-(benzenesulfonyl)ethyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133731
3-(benzenesulfonylmethyl)-N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084023
N-benzyl-3-[2-(4-methoxyphenyl)sulfonylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133962
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
CID 22579394
azepan-1-yl-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanone
CID 22579327
3-(benzenesulfonylmethyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 22579368
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 22431959

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 22579342) is 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(CNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)o1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HFGNUOISVMREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-11-7-8-12(23-11)9-17-15(20)16-18-14(19-24-16)10-25(21,22)13-5-3-2-4-6-13/h2-8H,9-10H2,1H3,(H,17,20).
What are the key properties of 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22579342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).