2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide

C22H29N3O3S — CID 9055447

IUPAC2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-7-9-18(10-8-17)23-21(26)15-24(2)22(27)16-25(13-19-5-3-11-28-19)14-20-6-4-12-29-20/h4,6-10,12,19H,3,5,11,13-16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyLLAAZJHMCVBDNU-IBGZPJMESA-N
MW415.56 g/mol
LogP3.13
Rot. Bonds9

About 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 9055447) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID9055447
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1
InChIInChI=1S/C22H29N3O3S/c1-17-7-9-18(10-8-17)23-21(26)15-24(2)22(27)16-25(13-19-5-3-11-28-19)14-20-6-4-12-29-20/h4,6-10,12,19H,3,5,11,13-16H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyLLAAZJHMCVBDNU-IBGZPJMESA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-sulfamoylphenyl)acetamide
CID 43031234
N-(4-morpholin-4-ylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 40790537
N-[4-(azepan-1-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296343
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296357
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18197685
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 46527504
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055555
N-(4-chloro-2-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055321

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 9055447) is 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is LLAAZJHMCVBDNU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-7-9-18(10-8-17)23-21(26)15-24(2)22(27)16-25(13-19-5-3-11-28-19)14-20-6-4-12-29-20/h4,6-10,12,19H,3,5,11,13-16H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9055447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).