N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide

C17H28N2O2S — CID 111969892

IUPACN-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H28N2O2S/c1-18(2)10-11-19(14-15-7-6-12-22-15)16(20)13-17(21)8-4-3-5-9-17/h6-7,12,21H,3-5,8-11,13-14H2,1-2H3
InChIKeyCHRVRWMNPVZWCH-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.72
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide

N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 111969892) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID111969892
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(C)CCN(Cc1cccs1)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C17H28N2O2S/c1-18(2)10-11-19(14-15-7-6-12-22-15)16(20)13-17(21)8-4-3-5-9-17/h6-7,12,21H,3-5,8-11,13-14H2,1-2H3
InChIKeyCHRVRWMNPVZWCH-UHFFFAOYSA-N
XLogP2.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide (CID 111969892) is N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide is CN(C)CCN(Cc1cccs1)C(=O)CC1(O)CCCCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CHRVRWMNPVZWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-18(2)10-11-19(14-15-7-6-12-22-15)16(20)13-17(21)8-4-3-5-9-17/h6-7,12,21H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 324.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclohexyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 111969892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).