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

C16H15N3O4S2 — CID 7254302

IUPAC3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-11-4-6-12(7-5-11)25(21,22)10-8-14(20)17-16-19-18-15(23-16)13-3-2-9-24-13/h2-7,9H,8,10H2,1H3,(H,17,19,20)
InChIKeyDGYRPZYQVVZWKG-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.91
Rot. Bonds6

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

3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 7254302) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID7254302
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-11-4-6-12(7-5-11)25(21,22)10-8-14(20)17-16-19-18-15(23-16)13-3-2-9-24-13/h2-7,9H,8,10H2,1H3,(H,17,19,20)
InChIKeyDGYRPZYQVVZWKG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 7254302) is 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is DGYRPZYQVVZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-11-4-6-12(7-5-11)25(21,22)10-8-14(20)17-16-19-18-15(23-16)13-3-2-9-24-13/h2-7,9H,8,10H2,1H3,(H,17,19,20).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 377.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 7254302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).