N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C16H15N3O4S2 — CID 9072654

IUPACN-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C16H15N3O4S2/c1-25(21,22)13-4-2-3-12(9-13)17-14(20)5-6-15-18-16(19-23-15)11-7-8-24-10-11/h2-4,7-10H,5-6H2,1H3,(H,17,20)
InChIKeyOMPIIBQBLOKFCX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.77
Rot. Bonds6

About N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9072654) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9072654
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCS(=O)(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1
InChIInChI=1S/C16H15N3O4S2/c1-25(21,22)13-4-2-3-12(9-13)17-14(20)5-6-15-18-16(19-23-15)11-7-8-24-10-11/h2-4,7-10H,5-6H2,1H3,(H,17,20)
InChIKeyOMPIIBQBLOKFCX-UHFFFAOYSA-N
XLogP2.77
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfonylphenyl)propanamide
CID 33160233
methyl 2-[[3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzoyl]amino]acetate
CID 55848093
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-[3-(morpholine-4-carbonyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55748698
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9087195
N-[3-[(3-fluorophenoxy)methyl]phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38613806
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9085549
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26689322
N-(pyridin-2-ylmethyl)-3-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 55783491
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827
N-[3-[1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]benzamide
CID 55693673

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 9072654) is N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CS(=O)(=O)c1cccc(NC(=O)CCc2nc(-c3ccsc3)no2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OMPIIBQBLOKFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-25(21,22)13-4-2-3-12(9-13)17-14(20)5-6-15-18-16(19-23-15)11-7-8-24-10-11/h2-4,7-10H,5-6H2,1H3,(H,17,20).
What are the key properties of N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9072654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).