N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

C22H24N2O2S — CID 9055085

IUPACN-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc2ccccc12
InChIInChI=1S/C22H24N2O2S/c25-22(23-21-11-3-7-17-6-1-2-10-20(17)21)16-24(14-18-8-4-12-26-18)15-19-9-5-13-27-19/h1-3,5-7,9-11,13,18H,4,8,12,14-16H2,(H,23,25)/t18-/m0/s1
InChIKeyTZOTWVIYDFLPEI-SFHVURJKSA-N
MW380.51 g/mol
LogP4.52
Rot. Bonds7

About N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide

N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9055085) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID9055085
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc2ccccc12
InChIInChI=1S/C22H24N2O2S/c25-22(23-21-11-3-7-17-6-1-2-10-20(17)21)16-24(14-18-8-4-12-26-18)15-19-9-5-13-27-19/h1-3,5-7,9-11,13,18H,4,8,12,14-16H2,(H,23,25)/t18-/m0/s1
InChIKeyTZOTWVIYDFLPEI-SFHVURJKSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-quinolin-5-ylacetamide
CID 46690051
2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 9055359
N-(2,3-dichlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055181
N-(2-methylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 8926224
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-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055321
N-(4-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055323
N-(2-ethyl-6-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055309
N-(3-methyl-1,2-oxazol-5-yl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18154491
N-[(4-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055261

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9055085) is N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is TZOTWVIYDFLPEI-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-22(23-21-11-3-7-17-6-1-2-10-20(17)21)16-24(14-18-8-4-12-26-18)15-19-9-5-13-27-19/h1-3,5-7,9-11,13,18H,4,8,12,14-16H2,(H,23,25)/t18-/m0/s1.
What are the key properties of N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 380.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9055085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).