N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide

C20H20N4O3S — CID 53042331

IUPACN-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
SMILESCc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-12-15(22-17(25)11-21-19(26)13-6-3-2-4-7-13)10-16(28-12)18-23-20(27-24-18)14-8-5-9-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,21,26)(H,22,25)
InChIKeyKEXUTANFLVRAFU-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.74
Rot. Bonds6

About N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide

N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 53042331) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID53042331
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
SMILESCc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C20H20N4O3S/c1-12-15(22-17(25)11-21-19(26)13-6-3-2-4-7-13)10-16(28-12)18-23-20(27-24-18)14-8-5-9-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,21,26)(H,22,25)
InChIKeyKEXUTANFLVRAFU-UHFFFAOYSA-N
XLogP3.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042355
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]pyridine-4-carboxamide
CID 53042375
N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-fluoro-4-methylbenzamide
CID 53042385
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
CID 53042334
5-bromo-N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]furan-2-carboxamide
CID 53078643
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(dimethylamino)benzamide
CID 53042315
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 53078662
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 53078661
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]benzamide
CID 53042299
(2R)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 93075275
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3,4,5-trimethoxybenzamide
CID 53078649
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide (CID 53042331) is N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide is Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is KEXUTANFLVRAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12-15(22-17(25)11-21-19(26)13-6-3-2-4-7-13)10-16(28-12)18-23-20(27-24-18)14-8-5-9-14/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 53042331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).