3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide

C19H16N4O4S3 — CID 30885633

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H16N4O4S3/c24-16(7-8-17-21-19(22-27-17)13-9-11-28-12-13)20-14-4-1-2-5-15(14)23-30(25,26)18-6-3-10-29-18/h1-6,9-12,23H,7-8H2,(H,20,24)
InChIKeyXRJPREVSMNMFQF-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.23
Rot. Bonds8

About 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide (PubChem CID 30885633) has the molecular formula C19H16N4O4S3 and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
PubChem CID30885633
Molecular FormulaC19H16N4O4S3
Molecular Weight460.56 g/mol
Exact Mass460.03
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H16N4O4S3/c24-16(7-8-17-21-19(22-27-17)13-9-11-28-12-13)20-14-4-1-2-5-15(14)23-30(25,26)18-6-3-10-29-18/h1-6,9-12,23H,7-8H2,(H,20,24)
InChIKeyXRJPREVSMNMFQF-UHFFFAOYSA-N
XLogP4.23
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26708441
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119439388
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 27298651
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 90563140
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33391806
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-(3-methylsulfonylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9072654
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26689827

Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide (CID 30885633) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
The InChIKey is XRJPREVSMNMFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S3/c24-16(7-8-17-21-19(22-27-17)13-9-11-28-12-13)20-14-4-1-2-5-15(14)23-30(25,26)18-6-3-10-29-18/h1-6,9-12,23H,7-8H2,(H,20,24).
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide has a molecular weight of 460.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 30885633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).