2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide

C24H26N2O2S — CID 9055359

IUPAC2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
SMILESO=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H26N2O2S/c27-24(25-23-13-5-4-12-22(23)19-8-2-1-3-9-19)18-26(16-20-10-6-14-28-20)17-21-11-7-15-29-21/h1-5,7-9,11-13,15,20H,6,10,14,16-18H2,(H,25,27)/t20-/m1/s1
InChIKeyZRSOACACEYQBDJ-HXUWFJFHSA-N
MW406.55 g/mol
LogP5.03
Rot. Bonds8

About 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide

2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide (PubChem CID 9055359) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
PubChem CID9055359
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
SMILESO=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H26N2O2S/c27-24(25-23-13-5-4-12-22(23)19-8-2-1-3-9-19)18-26(16-20-10-6-14-28-20)17-21-11-7-15-29-21/h1-5,7-9,11-13,15,20H,6,10,14,16-18H2,(H,25,27)/t20-/m1/s1
InChIKeyZRSOACACEYQBDJ-HXUWFJFHSA-N
XLogP5.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055085
N-(2-methylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926224
N-(2,3-dichlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055181
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(2,4-dichlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055179
N-(5-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055561
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
2-[ethyl(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 8718330
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide
CID 46690051
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-(4,5-dimethyl-2-nitrophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055265

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide (CID 9055359) is 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide is O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
The InChIKey is ZRSOACACEYQBDJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N2O2S/c27-24(25-23-13-5-4-12-22(23)19-8-2-1-3-9-19)18-26(16-20-10-6-14-28-20)17-21-11-7-15-29-21/h1-5,7-9,11-13,15,20H,6,10,14,16-18H2,(H,25,27)/t20-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide?
2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 9055359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).