N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide

C20H26N4O3S — CID 24982431

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)Nc2ccccc2N2CCCCC2)no1
InChIInChI=1S/C20H26N4O3S/c1-14-12-18(23-27-14)22-20(26)15(2)28-13-19(25)21-16-8-4-5-9-17(16)24-10-6-3-7-11-24/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyRWRWTTSPRLABMC-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.67
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide (PubChem CID 24982431) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide
PubChem CID24982431
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide
SMILESCc1cc(NC(=O)C(C)SCC(=O)Nc2ccccc2N2CCCCC2)no1
InChIInChI=1S/C20H26N4O3S/c1-14-12-18(23-27-14)22-20(26)15(2)28-13-19(25)21-16-8-4-5-9-17(16)24-10-6-3-7-11-24/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyRWRWTTSPRLABMC-UHFFFAOYSA-N
XLogP3.67
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide (CID 24982431) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide is Cc1cc(NC(=O)C(C)SCC(=O)Nc2ccccc2N2CCCCC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide?
The InChIKey is RWRWTTSPRLABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-12-18(23-27-14)22-20(26)15(2)28-13-19(25)21-16-8-4-5-9-17(16)24-10-6-3-7-11-24/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide has a molecular weight of 402.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]sulfanylpropanamide is sourced from PubChem (CID 24982431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).