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

C23H20N4O3S — CID 55924013

IUPACN-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H20N4O3S/c28-20(13-6-14-21-26-22(27-30-21)19-12-7-15-31-19)24-17-10-4-5-11-18(17)25-23(29)16-8-2-1-3-9-16/h1-5,7-12,15H,6,13-14H2,(H,24,28)(H,25,29)
InChIKeyHQEGWNDTKQZLKI-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.01
Rot. Bonds8

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

N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide (PubChem CID 55924013) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
PubChem CID55924013
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide
SMILESO=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H20N4O3S/c28-20(13-6-14-21-26-22(27-30-21)19-12-7-15-31-19)24-17-10-4-5-11-18(17)25-23(29)16-8-2-1-3-9-16/h1-5,7-12,15H,6,13-14H2,(H,24,28)(H,25,29)
InChIKeyHQEGWNDTKQZLKI-UHFFFAOYSA-N
XLogP5.01
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
N-(2,3-dimethylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612290
N-(4-iodophenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38888106
N-methyl-3-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 38924123
N-(2-phenylsulfanylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24655609
N-(4,5-dimethoxy-2-methylphenyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 38910698
N-(2-piperidin-1-yl-3-pyridinyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55978291
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]butanamide
CID 90563659
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-ethyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]quinoline-4-carboxamide
CID 71908579
N-(4-phenylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9075415
3-methyl-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119169883

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide?
The IUPAC name of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide (CID 55924013) is N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide is O=C(CCCc1nc(-c2cccs2)no1)Nc1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide?
The InChIKey is HQEGWNDTKQZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c28-20(13-6-14-21-26-22(27-30-21)19-12-7-15-31-19)24-17-10-4-5-11-18(17)25-23(29)16-8-2-1-3-9-16/h1-5,7-12,15H,6,13-14H2,(H,24,28)(H,25,29).
What are the key properties of N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide?
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 55924013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).