2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide

C20H28N4O3S2 — CID 55349829

IUPAC2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NCC(c2cccs2)N2CCC(C)CC2)no1
InChIInChI=1S/C20H28N4O3S2/c1-14-5-7-24(8-6-14)16(17-4-3-9-29-17)11-21-19(25)12-28-13-20(26)22-18-10-15(2)27-23-18/h3-4,9-10,14,16H,5-8,11-13H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyKPUWLORIAUEQPN-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.31
Rot. Bonds9

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 55349829) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID55349829
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC Name2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCc1cc(NC(=O)CSCC(=O)NCC(c2cccs2)N2CCC(C)CC2)no1
InChIInChI=1S/C20H28N4O3S2/c1-14-5-7-24(8-6-14)16(17-4-3-9-29-17)11-21-19(25)12-28-13-20(26)22-18-10-15(2)27-23-18/h3-4,9-10,14,16H,5-8,11-13H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyKPUWLORIAUEQPN-UHFFFAOYSA-N
XLogP3.31
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide with MolForge

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 75865101
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]butanamide;dihydrochloride
CID 119830784
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 17496137
1,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 55527298
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 22509505
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
2-(4-chlorophenoxy)-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 35577511
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 55606251
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 42922665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide (CID 55349829) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide is Cc1cc(NC(=O)CSCC(=O)NCC(c2cccs2)N2CCC(C)CC2)no1.
What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is KPUWLORIAUEQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-14-5-7-24(8-6-14)16(17-4-3-9-29-17)11-21-19(25)12-28-13-20(26)22-18-10-15(2)27-23-18/h3-4,9-10,14,16H,5-8,11-13H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide?
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 436.60 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 55349829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).