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

C18H28N2O2S — CID 9055237

IUPACN-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC1CCCCC1
InChIInChI=1S/C18H28N2O2S/c21-18(19-15-6-2-1-3-7-15)14-20(12-16-8-4-10-22-16)13-17-9-5-11-23-17/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H,19,21)/t16-/m0/s1
InChIKeyQYSPEDJJBZUPBM-INIZCTEOSA-N
MW336.50 g/mol
LogP3.18
Rot. Bonds7

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

N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 9055237) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID9055237
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC1CCCCC1
InChIInChI=1S/C18H28N2O2S/c21-18(19-15-6-2-1-3-7-15)14-20(12-16-8-4-10-22-16)13-17-9-5-11-23-17/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H,19,21)/t16-/m0/s1
InChIKeyQYSPEDJJBZUPBM-INIZCTEOSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide (CID 9055237) is N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is QYSPEDJJBZUPBM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2S/c21-18(19-15-6-2-1-3-7-15)14-20(12-16-8-4-10-22-16)13-17-9-5-11-23-17/h5,9,11,15-16H,1-4,6-8,10,12-14H2,(H,19,21)/t16-/m0/s1.
What are the key properties of N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide?
N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 336.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9055237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).