(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

C15H20N4O4S2 — CID 9492975

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)no1
InChIInChI=1S/C15H20N4O4S2/c1-11-10-13(17-23-11)16-15(20)12(2)18-5-7-19(8-6-18)25(21,22)14-4-3-9-24-14/h3-4,9-10,12H,5-8H2,1-2H3,(H,16,17,20)/t12-/m1/s1
InChIKeyMZXUCQWEZITKOD-GFCCVEGCSA-N
MW384.48 g/mol
LogP1.38
Rot. Bonds5

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 9492975) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID9492975
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)no1
InChIInChI=1S/C15H20N4O4S2/c1-11-10-13(17-23-11)16-15(20)12(2)18-5-7-19(8-6-18)25(21,22)14-4-3-9-24-14/h3-4,9-10,12H,5-8H2,1-2H3,(H,16,17,20)/t12-/m1/s1
InChIKeyMZXUCQWEZITKOD-GFCCVEGCSA-N
XLogP1.38
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2S)-N-(4-phenoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2399708
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24507817
(2S)-N-(2-methylpropyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 9492888
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]propanamide
CID 134045166
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9276911
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 94162134
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
(2R)-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95277625
N'-hydroxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 77012619

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide (CID 9492975) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is MZXUCQWEZITKOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-11-10-13(17-23-11)16-15(20)12(2)18-5-7-19(8-6-18)25(21,22)14-4-3-9-24-14/h3-4,9-10,12H,5-8H2,1-2H3,(H,16,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9492975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).