N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

C19H24N2O2S2 — CID 18197685

IUPACN-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2cccs2)CC2CCCO2)c1
InChIInChI=1S/C19H24N2O2S2/c1-24-17-7-2-5-15(11-17)20-19(22)14-21(12-16-6-3-9-23-16)13-18-8-4-10-25-18/h2,4-5,7-8,10-11,16H,3,6,9,12-14H2,1H3,(H,20,22)
InChIKeyQJYVFUDOFLQSOI-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.09
Rot. Bonds8

About N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 18197685) has the molecular formula C19H24N2O2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID18197685
Molecular FormulaC19H24N2O2S2
Molecular Weight376.55 g/mol
Exact Mass376.13
IUPAC NameN-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2cccs2)CC2CCCO2)c1
InChIInChI=1S/C19H24N2O2S2/c1-24-17-7-2-5-15(11-17)20-19(22)14-21(12-16-6-3-9-23-16)13-18-8-4-10-25-18/h2,4-5,7-8,10-11,16H,3,6,9,12-14H2,1H3,(H,20,22)
InChIKeyQJYVFUDOFLQSOI-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(3-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055119
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 9055285
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-(4-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055323
N-(4-chloro-2-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055321
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-sulfamoylphenyl)acetamide
CID 43031234
N-(5-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055561
N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9296357

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (CID 18197685) is N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is CSc1cccc(NC(=O)CN(Cc2cccs2)CC2CCCO2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is QJYVFUDOFLQSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S2/c1-24-17-7-2-5-15(11-17)20-19(22)14-21(12-16-6-3-9-23-16)13-18-8-4-10-25-18/h2,4-5,7-8,10-11,16H,3,6,9,12-14H2,1H3,(H,20,22).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 376.55 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 18197685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).