3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

C21H22N4O3S — CID 53042334

IUPAC3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)ccc1C
InChIInChI=1S/C21H22N4O3S/c1-11-7-8-15(9-16(11)22-13(3)26)20(27)23-17-10-18(29-12(17)2)19-24-21(28-25-19)14-5-4-6-14/h7-10,14H,4-6H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyQFMLIXWHWHFCFE-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.89
Rot. Bonds5

About 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide

3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (PubChem CID 53042334) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
PubChem CID53042334
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)ccc1C
InChIInChI=1S/C21H22N4O3S/c1-11-7-8-15(9-16(11)22-13(3)26)20(27)23-17-10-18(29-12(17)2)19-24-21(28-25-19)14-5-4-6-14/h7-10,14H,4-6H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyQFMLIXWHWHFCFE-UHFFFAOYSA-N
XLogP4.89
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.89
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]-3-fluoro-4-methylbenzamide
CID 53042385
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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(dimethylamino)benzamide
CID 53042315
N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide
CID 53042331
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]-3,4,5-trimethoxybenzamide
CID 53078649
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methylphenyl)prop-2-enamide
CID 53078662
N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 53078605
(E)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 53078661
(2R)-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 93075275
3-(4-bromo-5-methylthiophen-2-yl)-5-cyclobutyl-1,2,4-oxadiazole
CID 165486283

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide (CID 53042334) is 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)ccc1C.
What is the InChIKey of 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
The InChIKey is QFMLIXWHWHFCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-11-7-8-15(9-16(11)22-13(3)26)20(27)23-17-10-18(29-12(17)2)19-24-21(28-25-19)14-5-4-6-14/h7-10,14H,4-6H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide?
3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide has a molecular weight of 410.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-4-methylbenzamide is sourced from PubChem (CID 53042334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).