3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide

C15H18ClN3O4S — CID 22579394

IUPAC3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O4S/c1-10(2)7-8-17-14(20)15-18-13(19-23-15)9-24(21,22)12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyVJIIMNWJESTTMG-UHFFFAOYSA-N
MW371.85 g/mol
LogP2.47
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide

3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22579394) has the molecular formula C15H18ClN3O4S and a molecular weight of 371.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID22579394
Molecular FormulaC15H18ClN3O4S
Molecular Weight371.85 g/mol
Exact Mass371.07
IUPAC Name3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H18ClN3O4S/c1-10(2)7-8-17-14(20)15-18-13(19-23-15)9-24(21,22)12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyVJIIMNWJESTTMG-UHFFFAOYSA-N
XLogP2.47
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-imidazol-1-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 5300724
3-(benzenesulfonylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 46354958
3-[(4-chlorophenyl)sulfonylmethyl]-N-[(2,6-dichlorophenyl)methylideneamino]-1,2,4-oxadiazole-5-carboxamide
CID 2743730
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133847
3-[2-(4-chlorophenyl)sulfonylethyl]-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133850
3-(benzenesulfonylmethyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764616
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092677
3-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5299617
3-[2-(4-methylphenyl)sulfonylethyl]-N-(3-propan-2-yloxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133800
3-(benzenesulfonylmethyl)-N-[(5-methylfuran-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 22579342
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-propyl-1,2,4-oxadiazole-5-carboxamide
CID 53133939
3-(benzenesulfonylmethyl)-N-[2-[[2-(4-fluorophenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084023

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide (CID 22579394) is 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide is CC(C)CCNC(=O)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VJIIMNWJESTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4S/c1-10(2)7-8-17-14(20)15-18-13(19-23-15)9-24(21,22)12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylmethyl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22579394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).