(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C20H26N4O4S — CID 9371844

IUPAC(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cccc(N2CCN(C(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H26N4O4S/c1-14-11-18(22-28-14)21-20(26)15(2)29-13-19(25)24-9-7-23(8-10-24)16-5-4-6-17(12-16)27-3/h4-6,11-12,15H,7-10,13H2,1-3H3,(H,21,22,26)/t15-/m1/s1
InChIKeyILKVPLCTXHWIKX-OAHLLOKOSA-N
MW418.52 g/mol
LogP2.40
Rot. Bonds7

About (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 9371844) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID9371844
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1cccc(N2CCN(C(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H26N4O4S/c1-14-11-18(22-28-14)21-20(26)15(2)29-13-19(25)24-9-7-23(8-10-24)16-5-4-6-17(12-16)27-3/h4-6,11-12,15H,7-10,13H2,1-3H3,(H,21,22,26)/t15-/m1/s1
InChIKeyILKVPLCTXHWIKX-OAHLLOKOSA-N
XLogP2.40
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55904445
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanamide
CID 9152457
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 43002731
(2S)-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 31468642
1-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid
CID 119349491
2-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119648218
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]sulfanylpropanamide
CID 8641811
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]sulfanylpropanamide
CID 43066957
(2R)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7959640

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 9371844) is (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1cccc(N2CCN(C(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is ILKVPLCTXHWIKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14-11-18(22-28-14)21-20(26)15(2)29-13-19(25)24-9-7-23(8-10-24)16-5-4-6-17(12-16)27-3/h4-6,11-12,15H,7-10,13H2,1-3H3,(H,21,22,26)/t15-/m1/s1.
What are the key properties of (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 418.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 9371844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).